132317231
  -OEChem-06192423272D

 28 28  0     1  0  0  0  0  0999 V2000
    4.6701   -1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    0.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.0127    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3611   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3402    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3347    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0511   -0.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891   -0.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636   -1.6551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349   -2.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    1.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    1.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    2.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880    2.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    0.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991    1.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317231

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
205

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADIihgAICAALABACIACFSEACAAAAAAAAIAAAAAEACAAAAAAAHAAAHFACQAIBAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(methoxymethyl)tetrahydrofuran-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(methoxymethyl)-3-oxolanyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(methoxymethyl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(methoxymethyl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(methoxymethyl)oxolan-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(methoxymethyl)tetrahydrofuran-3-yl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15NO3/c1-3-8(11)10-9(6-12-2)4-5-13-7-9/h3H,1,4-7H2,2H3,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
AYOVETDQILAROP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
185.10519334

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
185.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCC1(CCOC1)NC(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCC1(CCOC1)NC(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.10519334

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
5  9  3

$$$$
