102835
 OpenBabel05082101102D

 27 27  0  0  1  0  0  0  0  0999 V2000
    2.0000   -1.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -1.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -0.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8021    1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1821    2.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    2.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501    1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
102835

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
175

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAAgAABIAAQAAAAAAgAAIAAMIiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-methylbut-2-enyl)cyclopentanone

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(3-methylbut-2-enyl)-1-cyclopentanone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-methylbut-2-enyl)cyclopentan-1-one

>  <PUBCHEM_IUPAC_NAME>
2-(3-methylbut-2-enyl)cyclopentan-1-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-methylbut-2-enyl)cyclopentan-1-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-methylbut-2-enyl)cyclopentanone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NKESYZVOSBUNKQ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.4

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCC1CCCC1=O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC1CCCC1=O)C

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
2  7  3

$$$$
