71535506
  -OEChem-05082409382D

 41 42  0     0  0  0  0  0  0999 V2000
    7.4516    1.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    4.1034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    4.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698    4.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147    3.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    2.5244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    3.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -2.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -1.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71535506

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAAAAAADATBmAYyBoMABACIAiFSEACCCAAgIAAIiAEOiMgNJzKEsRqEMCIlxjWKqYeE4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(<I>E</I>)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H19NO5/c1-20-12-9-11(10-13(21-2)16(12)22-3)6-7-15(19)17-8-4-5-14(17)18/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+

> <PUBCHEM_IUPAC_INCHIKEY>
YLCDYVPFKMKRKE-VOTSOKGWSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
305.12632271

> <PUBCHEM_MOLECULAR_FORMULA>
C16H19NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
305.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCC2=O

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.12632271

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
13  15  8
13  16  8
15  18  8
16  17  8
17  19  8
18  19  8

$$$$