132317329
  -OEChem-06192423272D

 25 26  0     0  0  0  0  0  0999 V2000
    8.0901    1.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070    0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052    1.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052   -0.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070   -0.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317329

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
257

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsSAAAAAAAAACxgAAAHgAQAAAACAShkgIxtpLIFACoACNydASCiCkhYiAJmCA37NiPJuLEuJuPOCrs1RPa6KawEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10N2O3/c1-2-9(13)11-8-4-3-7-10(12-8)15-6-5-14-7/h2-4H,1,5-6H2,(H,11,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
NYTZTMFRLVIWFW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
206.06914219

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
206.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=NC2=C(C=C1)OCCO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=NC2=C(C=C1)OCCO2

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.06914219

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  12  8
11  12  8
4  11  8
4  9  8
8  10  8
8  9  8

$$$$
