2310
  -OEChem-04252423162D

 24 24  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    2.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    1.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    2.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  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
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2310

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
182

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADgCBgAACAALAAAAIAAEQEAAAAAAAAAAAAAEAAAAAABIAgAAEAAAAFCCAAAAYAwALAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-ethyl-4-methyl-piperidine-2,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
4-ethyl-4-methylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-ethyl-4-methylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_NAME>
4-ethyl-4-methylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-ethyl-4-methyl-piperidine-2,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-ethyl-4-methyl-piperidine-2,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
ORRZGUBHBVWWOP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
155.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C8H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
155.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(CC(=O)NC(=O)C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1(CC(=O)NC(=O)C1)C

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
155.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$