139015438
  -OEChem-06192423312D

 33 34  0     1  0  0  0  0  0999 V2000
    7.0388   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.2990    0.0000 N   0  0  3  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
    5.5000   -0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0878    0.3760    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
    6.0878   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388    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
    5.5000   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400    0.9424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5508    0.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5508   -1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400   -1.8084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    0.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1678    0.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9631   -2.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369   -1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  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 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
139015438

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
280

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAAAAAAHgAAAAAADIjhgAYCAAMABACIACFSEACAAAAAAAAIAAAIAEACQAAAgAAXAAAGBgCQAIAgAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-2-propen-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H18N2O2/c1-3-10(14)13-6-5-12(2)11(8-13)4-7-15-9-11/h3H,1,4-9H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HVVQPWYRSRYYKG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
210.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C11H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
210.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN(CC12CCOC2)C(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN(CC12CCOC2)C(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
32.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  6  3

$$$$
