Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:32:46 UTC |
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Updated at | 2021-01-04 20:37:46 UTC |
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CannabisDB ID | CDB005560 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | 2-Ethyl-1H-pyrrolo[2,3-b]pyridine |
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Description | 2-Ethyl-1H-pyrrolo[2,3-b]pyridine, also known as 2-ethyl-7-azaindole, belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is a 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 2-Ethyl-1H-pyrrolo[2,3-b]pyridine is a strongly basic compound. 2-Ethyl-1H-pyrrolo[2,3-b]pyridine is an ethylated derivative of pyrrolopyridine. 2-Ethyl-1H-pyrrolo[2,3-b]pyridine is one of several structural isomers of ethylpyrrolopyridine which is substituted by one ethyl group at different positions. Ethylpyrrolopyridines are found in marijuana smoke ( Ref:DOI ). 2-Ethyl-1H-pyrrolo[2,3-b]pyridine is formed during the combustion of cannabis. |
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Structure | |
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Synonyms | Not Available |
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Chemical Formula | C9H10N2 |
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Average Molecular Weight | 146.19 |
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Monoisotopic Molecular Weight | 146.0844 |
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IUPAC Name | 2-ethyl-1H-pyrrolo[2,3-b]pyridine |
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Traditional Name | 2-ethyl-1H-pyrrolo[2,3-b]pyridine |
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CAS Registry Number | 23612-49-9 |
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SMILES | CCC1=CC2=C(N1)N=CC=C2 |
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InChI Identifier | InChI=1S/C9H10N2/c1-2-8-6-7-4-3-5-10-9(7)11-8/h3-6H,2H2,1H3,(H,10,11) |
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InChI Key | NPTVWPJFZZCZOI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Classification | Not classified |
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Ontology |
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Not Available | Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | logP | Not Available | Not Available |
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Predicted Properties | [] |
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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 2-Ethyl-1H-pyrrolo[2,3-b]pyridine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Not Available |
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Protein Targets |
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Enzymes | Not Available |
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Transporters | Not Available |
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Metal Bindings | Not Available |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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| Not Available |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 512333 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 589377 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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References |
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General References | Not Available |
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