71122
  -OEChem-05112409572D

 30 30  0     1  0  0  0  0  0999 V2000
    4.6701   -2.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302   -1.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524   -0.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9334    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.9231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5322    2.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -0.7994    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3611   -1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -2.3383    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5823    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0823   -3.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389    1.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0511   -0.8503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9516   -2.8907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    0.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5807   -2.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7179   -3.6489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839   -3.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -0.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    1.2805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8966    3.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9156    2.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 16  2  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71122

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
353

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADhShgAIDCALABACIACHSGAAAAAAgAAAIAAEAAAiAAB4IgQAGAAAGpSIAAAG6AAAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-allyl-N-carbamoyl-5-methyl-2-oxo-tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyl-3-oxolanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-aminocarbonyl-5-methyl-2-oxidanylidene-3-prop-2-enyl-oxolane-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-allyl-N-carbamoyl-2-keto-5-methyl-tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
LVJAHKSVOQLCEV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
226.09535693

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
226.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N

> <PUBCHEM_CACTVS_TPSA>
98.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.09535693

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
7  10  3
9  13  3

$$$$