136843
  -OEChem-04232414242D

 25 26  0     0  0  0  0  0  0999 V2000
    2.6200   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4600    1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708   -1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4600   -1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754    0.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    1.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878   -1.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754   -0.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136843

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
211

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADgCBgAAAAALAAAAIAAEQEAAAAAAAAAAAAAEAAAAAABIAgAAEAAAAFCCAAAEYiwCPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-azaspiro[4.5]decane-7,9-dione

> <PUBCHEM_IUPAC_CAS_NAME>
8-azaspiro[4.5]decane-7,9-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-azaspiro[4.5]decane-7,9-dione

> <PUBCHEM_IUPAC_NAME>
8-azaspiro[4.5]decane-7,9-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-azaspiro[4.5]decane-7,9-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-azaspiro[4.5]decane-7,9-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
YRTHJMQKDCXPAY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
167.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
167.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2(C1)CC(=O)NC(=O)C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2(C1)CC(=O)NC(=O)C2

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
167.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$