9837243
  -OEChem-05052414502D

 35 35  0     1  0  0  0  0  0999 V2000
    5.4921   -0.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.9086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5411   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    3.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    1.4611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    1.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    1.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    2.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    2.2845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    3.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    3.8046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988    3.9418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616    3.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.1302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.1302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9837243

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
253

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADSjBgAQCAANAAAAIAAEQEAAAAAAAAAAAAAGIAAAAQBIAgCAUAAAAFgCAAAEcCAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-[(4R)-2-oxo-4-propyl-pyrrolidin-1-yl]butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-[(4R)-2-oxo-4-propyl-1-pyrrolidinyl]butanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-2-[(4<I>R</I>)-2-oxo-4-propylpyrrolidin-1-yl]butanamide

> <PUBCHEM_IUPAC_NAME>
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-[(4R)-2-keto-4-propyl-pyrrolidino]butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MSYKRHVOOPPJKU-BDAKNGLRSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
212.152477885

> <PUBCHEM_MOLECULAR_FORMULA>
C11H20N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
212.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1CC(=O)N(C1)C(CC)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.152477885

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
5  8  6
9  12  5

$$$$