12588498
  -OEChem-04232402332D

 25 26  0     1  0  0  0  0  0999 V2000
    5.5202   -1.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2802    1.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588    0.5888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.3536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.4058    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691   -0.7659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2414   -0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7414    0.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723    0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4238   -1.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -1.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498   -1.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8078   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    0.8018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2430   -0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    0.8018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6218    0.8988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 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
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12588498

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
218

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADhgAYAAALABAAIAAEQEAAAAAAAAAAAAIEIAAEAABAAgAAOAAAEFgCAAAAmAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(5-oxopyrrolidin-2-yl)oxypyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(5-oxo-2-pyrrolidinyl)oxy]-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(5-oxopyrrolidin-2-yl)oxypyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
5-(5-oxopyrrolidin-2-yl)oxypyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(5-oxidanylidenepyrrolidin-2-yl)oxypyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(5-ketopyrrolidin-2-yl)oxy-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N2O3/c11-5-1-3-7(9-5)13-8-4-2-6(12)10-8/h7-8H,1-4H2,(H,9,11)(H,10,12)

> <PUBCHEM_IUPAC_INCHIKEY>
PGESPRACEXOTIG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
184.08479225

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
184.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)NC1OC2CCC(=O)N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)NC1OC2CCC(=O)N2

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.08479225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  1  3
7  1  3

$$$$
