5284583
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 26 26  0     1  0  0  0  0  0999 V2000
   -1.5786    3.1092    0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920    3.0890    2.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178    1.4634    0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090    4.0319    1.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    2.3064    0.0032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4199   -0.4332   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620    0.7867    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767    1.9346    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705    3.1964   -1.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942    3.1698    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3240   -2.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.6750   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361   -0.3674   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291   -0.3837    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779   -0.5784   -1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304   -1.3334    0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627    0.9756   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701    0.6283    1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401    3.7632   -1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144    3.8853   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4384    1.6352   -2.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752    2.9581   -3.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.7572   -2.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    4.5876    2.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9306    4.0965    0.8014 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>
5284583

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-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)/t6-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HPHUVLMMVZITSG-LURJTMIESA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
170.105528

> <PUBCHEM_MOLECULAR_FORMULA>
C8H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.20896

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@H](C(=O)N)N1CCCC1=O

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.105528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  10  5

$$$$