Mrv0541 01231304212D          

  7  7  0  0  0  0            999 V2000
   -1.3239    1.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913    1.0647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7364    0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9114    0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    1.0647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213   -0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM031234

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CN=C(C)N1

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2/c1-4-3-6-5(2)7-4/h4H,3H2,1-2H3,(H,6,7)

> <INCHI_KEY>
DIHAURBCYGTGCV-UHFFFAOYSA-N

> <FORMULA>
C5H10N2

> <MOLECULAR_WEIGHT>
98.1463

> <EXACT_MASS>
98.08439833

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
11.31484828076498

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5-dimethyl-4,5-dihydro-1H-imidazole

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
-0.214124602

> <ALOGPS_LOGS>
-0.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.629727051060692

> <JCHEM_POLAR_SURFACE_AREA>
24.39

> <JCHEM_REFRACTIVITY>
28.766199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.70e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4-dimethyl-4,5-dihydro-3H-imidazole

> <JCHEM_VEBER_RULE>
1

> <NAME>
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole

$$$$