132310119
  -OEChem-06192423272D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    2.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    3.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    4.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    4.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    3.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132310119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADQiBmAAwwILAAACIAiVSUACCAAAhAgAIiAAAZMgIICLAkZGEIAhglADIyIcQgMAOiAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-cyclopropylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-cyclopropylphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-cyclopropylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(4-cyclopropylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-cyclopropylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-cyclopropylphenyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13NO/c1-2-12(14)13-11-7-5-10(6-8-11)9-3-4-9/h2,5-9H,1,3-4H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
XNALRQRPKWNMSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
187.099714038

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13NO

> <PUBCHEM_MOLECULAR_WEIGHT>
187.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CC=C(C=C1)C2CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CC=C(C=C1)C2CC2

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.099714038

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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
6  7  8
6  8  8
7  9  8
8  10  8
9  11  8

$$$$
