59708
  -OEChem-04192422242D

 26 26  0     1  0  0  0  0  0999 V2000
    5.4921    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -1.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -1.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59708

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
203

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQCAANAAAAIAAEQEAAAAAAAAAAAAAGIAAAAQBAAgCAUAAAAFgCAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-oxopyrrolidin-1-yl)butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-oxo-1-pyrrolidinyl)butanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-oxopyrrolidin-1-yl)butanamide

> <PUBCHEM_IUPAC_NAME>
2-(2-oxopyrrolidin-1-yl)butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-oxidanylidenepyrrolidin-1-yl)butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-ketopyrrolidino)butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)

> <PUBCHEM_IUPAC_INCHIKEY>
HPHUVLMMVZITSG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
170.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C8H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C(=O)N)N1CCCC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C(=O)N)N1CCCC1=O

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
6  10  3

$$$$