Mrv1652304272018232D          

 13 14  0  0  0  0            999 V2000
   -0.0084    2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    2.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005465

> <DATABASE_NAME>
CDB

> <SMILES>
CC1C(C=C)C2=CC=CC=C2N1C

> <INCHI_IDENTIFIER>
InChI=1S/C12H15N/c1-4-10-9(2)13(3)12-8-6-5-7-11(10)12/h4-10H,1H2,2-3H3

> <INCHI_KEY>
XOZBYVNCILBECK-UHFFFAOYSA-N

> <FORMULA>
C12H15N

> <MOLECULAR_WEIGHT>
173.259

> <EXACT_MASS>
173.120449487

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
20.702036000413937

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-ethenyl-1,2-dimethyl-2,3-dihydro-1H-indole

> <ALOGPS_LOGP>
3.23

> <JCHEM_LOGP>
3.0433067106666667

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.6088891177102367

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
57.3317

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-ethenyl-1,2-dimethyl-2,3-dihydroindole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005465

> <GENERIC_NAME>
1,2-dimethyl-3-vinyl-azaindan

$$$$