136721
  -OEChem-05102417582D

 10 10  0     0  0  0  0  0  0999 V2000
    3.7071    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -1.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136721

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
59.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCIAAAAAAAAAAAAAAAAABYAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBgAQAAALAAAAIAAEQEAAAAAAAAAAAAIEIAAAAAAgAAAAAAAAAFgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
azetidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-azetidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
azetidin-2-one

> <PUBCHEM_IUPAC_NAME>
azetidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azetidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
azetidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
MNFORVFSTILPAW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
71.037113783

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5NO

> <PUBCHEM_MOLECULAR_WEIGHT>
71.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNC1=O

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
71.037113783

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$