64240733
  -OEChem-04262405332D

 34 35  0     1  0  0  0  0  0999 V2000
    3.7320   -4.0352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.5036    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    1.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    1.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    2.2478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824    3.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991    2.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5025    3.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    4.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993    4.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  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 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64240733

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
285

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAADCrBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB07GUIAhglgDIyAcUgAAOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H17ClN2O/c1-3-15-11-6-7-16(13(11)17)12-5-4-10(14)8-9(12)2/h4-5,8,11,15H,3,6-7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UDXWGIKWUNFIQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
252.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C13H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
252.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC1CCN(C1=O)C2=C(C=C(C=C2)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC1CCN(C1=O)C2=C(C=C(C=C2)Cl)C

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
11  14  8
12  16  8
14  17  8
16  17  8
5  4  3
9  11  8
9  12  8

$$$$