Mrv0541 02241212532D          

  9  9  0  0  0  0            999 V2000
   -1.2670    2.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    0.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026207

> <DATABASE_NAME>
chemdb

> <SMILES>
C=CCC1=NCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2

> <INCHI_KEY>
XWYDITRQXWMULZ-UHFFFAOYSA-N

> <FORMULA>
C8H13N

> <MOLECULAR_WEIGHT>
123.1955

> <EXACT_MASS>
123.104799421

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.02229199481701

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyridine

> <ALOGPS_LOGP>
2.86

> <JCHEM_LOGP>
1.8553055419999995

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.968156377420121

> <JCHEM_POLAR_SURFACE_AREA>
12.36

> <JCHEM_REFRACTIVITY>
39.9169

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(prop-2-en-1-yl)-3,4,5,6-tetrahydropyridine

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-(2'-Propenyl)-delta-1-piperideine

$$$$