43699902
  -OEChem-08082410242D

 32 33  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43699902

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
277

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgAQAAAACAjhkgY98JPIFACoADd3dACCgCkxEiAJ2CA4dNiKYOLAmZGXIAholALYyKYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(6-morpholino-3-pyridyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(4-morpholinyl)-3-pyridinyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(6-morpholin-4-ylpyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(6-morpholin-4-ylpyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(6-morpholin-4-ylpyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6-morpholino-3-pyridyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H15N3O2/c1-2-12(16)14-10-3-4-11(13-9-10)15-5-7-17-8-6-15/h2-4,9H,1,5-8H2,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
LHAYQUXWFIHSAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
233.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C12H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
233.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CN=C(C=C1)N2CCOCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CN=C(C=C1)N2CCOCC2

> <PUBCHEM_CACTVS_TPSA>
54.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
233.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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
11  12  8
12  13  8
13  14  8
4  10  8
4  14  8

$$$$
