Mrv0541 05061311352D          

 12 13  0  0  0  0            999 V2000
    5.6986    3.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    4.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    4.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905    1.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    1.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    3.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261    3.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  9  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006372

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC=C(CN2CCCC2)O1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3

> <INCHI_KEY>
IETSEKPJTAMXGM-UHFFFAOYSA-N

> <FORMULA>
C10H15NO

> <MOLECULAR_WEIGHT>
165.2322

> <EXACT_MASS>
165.115364107

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.359963741133384

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(5-methylfuran-2-yl)methyl]pyrrolidine

> <ALOGPS_LOGP>
1.98

> <JCHEM_LOGP>
1.5802480166666666

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.890919726604812

> <JCHEM_POLAR_SURFACE_AREA>
16.380000000000003

> <JCHEM_REFRACTIVITY>
49.6823

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(5-methylfuran-2-yl)methyl]pyrrolidine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006372

> <GENERIC_NAME>
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine

$$$$