| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:32:40 UTC |
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| Updated at | 2021-01-04 20:37:46 UTC |
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| CannabisDB ID | CDB005559 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethyl-1H-pyrrolo[2,3-b]pyridine |
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| Description | 1-Ethyl-1H-pyrrolo[2,3-b]pyridine, also known as 1-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. 1-Ethyl-1H-pyrrolo[2,3-b]pyridine is a strongly basic compound. 1-Ethyl-1H-pyrrolo[2,3-b]pyridine is an ethylated derivative of pyrrolopyridine. 1-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 ). 1-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 | 1-ethyl-1H-pyrrolo[2,3-b]pyridine |
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| Traditional Name | 1-ethylpyrrolo[2,3-b]pyridine |
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| CAS Registry Number | 126344-09-0 |
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| SMILES | CCN1C=CC2=C1N=CC=C2 |
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| InChI Identifier | InChI=1S/C9H10N2/c1-2-11-7-5-8-4-3-6-10-9(8)11/h3-7H,2H2,1H3 |
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| InChI Key | WRYJRJSQPWZHHU-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 | Not Available |
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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 | 9993841 |
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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 | 11819187 |
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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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