71627311
  -OEChem-04262420192D

 28 28  0     1  0  0  0  0  0999 V2000
    5.0981   -2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7891   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505   -0.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791   -1.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227   -2.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  5  4  1  6  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71627311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADSjhgAYCCALABAAIAAGQGAAAAAAAAAAAAIGIAAACABAAgCAHAAAGFgCQAAACAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-N-[(3S)-2-oxo-3-oxolanyl]butanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-<I>N</I>-[(3<I>S</I>)-2-oxooxolan-3-yl]butanamide

> <PUBCHEM_IUPAC_NAME>
3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-N-[(3S)-2-oxidanylideneoxolan-3-yl]butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(3S)-2-ketotetrahydrofuran-3-yl]-3-methyl-butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DUHWGLQNCKHNBY-ZETCQYMHSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
185.10519334

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
185.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CC(=O)NC1CCOC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CC(=O)N[C@H]1CCOC1=O

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.10519334

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  4  6

$$$$