121569159
  -OEChem-06192423252D

 32 33  0     0  0  0  0  0  0999 V2000
    7.5878   -1.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    0.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554   -0.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554    0.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678    0.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  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
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121569159

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
249

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAAAAAAAHgAQAAAACCzhgAYACALABACIACFSEACAAAAAAAAIAIAIAEARAAIAgAAmAAAEFgCGAIGwQAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-dioxaspiro[4.5]decan-8-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H17NO3/c1-2-10(13)12-9-3-5-11(6-4-9)14-7-8-15-11/h2,9H,1,3-8H2,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
IYLHQDWTTBPHOX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
211.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
211.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1CCC2(CC1)OCCO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1CCC2(CC1)OCCO2

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.12084340

> <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

$$$$
