Mrv1572004221603052D          

 18 19  0  0  0  0            999 V2000
   -1.1196    6.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    6.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    7.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6780    7.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197    7.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058    4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5065    6.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    6.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781    6.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4497    5.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904    4.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    5.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 15 14  1  4  0  0  0
 16  8  1  0  0  0  0
 16  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016361

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC=CC(C)=C1N=C(O)CN1CCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)

> <INCHI_KEY>
NGHTXZCKLWZPGK-UHFFFAOYSA-N

> <FORMULA>
C14H18N2O2

> <MOLECULAR_WEIGHT>
246.31

> <EXACT_MASS>
246.136827828

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.97782285265102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)ethanimidic acid

> <ALOGPS_LOGP>
1.31

> <JCHEM_LOGP>
2.3106514223333328

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.720197292085965

> <JCHEM_PKA_STRONGEST_BASIC>
1.1960323530747834

> <JCHEM_POLAR_SURFACE_AREA>
52.9

> <JCHEM_REFRACTIVITY>
72.35400000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nefiracetam

> <JCHEM_VEBER_RULE>
0

> <NAME>
Nefiracetam

> <CAS>
77191-36-7

> <SYNONYMS>
N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

$$$$