43616566
  -OEChem-06192423212D

 35 36  0     0  0  0  0  0  0999 V2000
    6.3582    2.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7306    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
    5.4641   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    3.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    2.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43616566

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAzBkAYyxoPABACIACVSUACCCAAhIgAIiAEPbMgOJjLEsZuFMChm1hnY6IeUUAMAAACAAgAAEAAAAQAEAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(2-ketopyrrolidino)-3-methoxy-phenyl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O3/c1-3-13(17)15-10-6-7-11(12(9-10)19-2)16-8-4-5-14(16)18/h3,6-7,9H,1,4-5,8H2,2H3,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
AUVUGFHFRMOSDM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
260.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
260.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=CC(=C1)NC(=O)C=C)N2CCCC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=CC(=C1)NC(=O)C=C)N2CCCC2=O

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
10  11  8
10  12  8
11  13  8
12  14  8
13  15  8
14  15  8

$$$$
