64240342
  -OEChem-04232413482D

 31 32  0     1  0  0  0  0  0999 V2000
    3.7320   -3.6307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.9081    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    1.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    2.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    3.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1609    4.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    3.3785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64240342

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAADCrBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB07GUIAhglgDIyAcUgAAOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-chloro-2-methyl-phenyl)-3-(methylamino)pyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-chloro-2-methylphenyl)-3-(methylamino)-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-chloro-2-methylphenyl)-3-(methylamino)pyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
1-(4-chloro-2-methylphenyl)-3-(methylamino)pyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-chloranyl-2-methyl-phenyl)-3-(methylamino)pyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-chloro-2-methyl-phenyl)-3-(methylamino)-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H15ClN2O/c1-8-7-9(13)3-4-11(8)15-6-5-10(14-2)12(15)16/h3-4,7,10,14H,5-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MKHFWPWTTDOKJO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
238.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C12H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)Cl)N2CCC(C2=O)NC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)Cl)N2CCC(C2=O)NC

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  15  8
13  16  8
15  16  8
5  4  3
9  10  8
9  11  8

$$$$