3161251
  -OEChem-06192423172D

 18 18  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    2.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    1.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    0.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9725    2.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    2.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3161251

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
169

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAEAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgIAAAAACAPBgEQAAAMAAAAIAAEQEAAAAAAAAAAAAAEIAABAABAAgABEAAAABiCAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-chloroacetyl)pyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-chloro-1-oxoethyl)-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-chloroacetyl)pyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
1-(2-chloroacetyl)pyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-chloranylethanoyl)pyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-chloroacetyl)-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8ClNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
XAXRVMNVJFVLDQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1

> <PUBCHEM_EXACT_MASS>
161.0243562

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8ClNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
161.58

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)N(C1)C(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)N(C1)C(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
37.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
161.0243562

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$
