80170
  -OEChem-05102412422D

 13 13  0     0  0  0  0  0  0999 V2000
    3.7601   -1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    2.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    1.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
80170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAECAAACACBgAAAAAIQAAAIAAEQEAAAAAAAAAAgAAEAAAAAABAAgAAEAAAABCCAAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hydroxypyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-hydroxypyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hydroxypyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_NAME>
1-hydroxypyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-oxidanylpyrrolidine-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-hydroxypyrrolidine-2,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
NQTADLQHYWFPDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-1.4

> <PUBCHEM_EXACT_MASS>
115.026943022

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
115.09

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

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

> <PUBCHEM_CACTVS_TPSA>
57.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
115.026943022

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$