Mrv1652304272018472D          

 12 13  0  0  0  0            999 V2000
   -1.0163    3.5552    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
   -1.8170    2.3222    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
   -1.6455    1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894    2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    2.7347    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005708

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CN(CC1)C1=CC=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2/c1-9-5-7-12(8-9)10-4-2-3-6-11-10/h2-4,6,8H,5,7H2,1H3

> <INCHI_KEY>
SMSRYMZNYBMKBE-UHFFFAOYSA-N

> <FORMULA>
C10H12N2

> <MOLECULAR_WEIGHT>
160.22

> <EXACT_MASS>
160.100048394

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
18.420526914469725

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-methyl-2,3-dihydro-1H-pyrrol-1-yl)pyridine

> <ALOGPS_LOGP>
1.18

> <JCHEM_LOGP>
2.1192125609999994

> <ALOGPS_LOGS>
-0.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.605263521805607

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
50.55929999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3-methyl-4,5-dihydropyrrol-1-yl)pyridine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005708

> <GENERIC_NAME>
4-Methyl-N-pyridin-2-yl-2,3-dihydropyrrole

$$$$