132306357
  -OEChem-06192423272D

 30 30  0     0  0  0  0  0  0999 V2000
    5.9334    1.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    1.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3347    0.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2524   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3402    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6334   -0.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770   -1.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1278   -1.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714   -0.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460   -2.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172   -2.5995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1876   -2.5995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8588   -2.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7219    0.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9937    0.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991    0.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    2.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.7091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  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 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132306357

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADgDBgAQAAALAAACIACFSEACAAAAAAAAIAIEIAEAAABoAwAAEAAAAFgCAAIEYCAAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(prop-2-enoylamino)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(1-oxoprop-2-enylamino)methyl]-1-cyclopentanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(acrylamidomethyl)cyclopentanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16N2O2/c1-2-8(13)12-7-10(9(11)14)5-3-4-6-10/h2H,1,3-7H2,(H2,11,14)(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
JEUIZUFKPVISBJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
196.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
196.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NCC1(CCCC1)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NCC1(CCCC1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
72.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.121177757

> <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

$$$$
