127267400
  -OEChem-06192423272D

 34 35  0     1  0  0  0  0  0999 V2000
    2.0570    1.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1613    3.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.5657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.8748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    1.2870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3660    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720    1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184    1.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9725    2.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    3.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    3.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    0.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492    1.3194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    2.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9345    3.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  6  4  1  1  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  6  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
127267400

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAABgAAAHgAQAAAADDzhmgY+hJLIFACoAjF3VACCiCAxIiAI2KA+bNgOJuLEsZuHMChm1hHY6IeQ8L4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2S,3R)-2-(6-methoxy-3-pyridyl)tetrahydrofuran-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2S,3R)-2-(6-methoxy-3-pyridinyl)-3-oxolanyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>S</I>,3<I>R</I>)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[(2S,3R)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2S,3R)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(2S,3R)-2-(6-methoxy-3-pyridyl)tetrahydrofuran-3-yl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N2O3/c1-3-11(16)15-10-6-7-18-13(10)9-4-5-12(17-2)14-8-9/h3-5,8,10,13H,1,6-7H2,2H3,(H,15,16)/t10-,13+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SYXJWKOGKOSTIQ-MFKMUULPSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
248.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
248.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=NC=C(C=C1)C2C(CCO2)NC(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=NC=C(C=C1)[C@H]2[C@@H](CCO2)NC(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  14  8
14  15  8
6  4  5
5  12  8
5  15  8
7  10  6

$$$$
