11439
  -OEChem-11242522592D

 12 12  0     0  0  0  0  0  0999 V2000
    2.0000   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  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  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11439

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
105

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACACBgAAAAALAAAAIAAEQEAAAAAAAAAAAAAEAAAAAABAAgAAEAAAAFCCAAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
pyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
pyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_NAME>
pyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
succinimide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
KZNICNPSHKQLFF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1

> <PUBCHEM_EXACT_MASS>
99.032028402

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
99.09

> <PUBCHEM_SMILES>
C1CC(=O)NC1=O

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CC(=O)NC1=O

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
99.032028402

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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

$$$$
