92043553
 OpenBabel05082101102D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.2601   -2.2694    0.0000 C   0  0  0  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
    3.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.7306    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
    2.0000   -1.0094    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
    3.7601    2.2694    0.0000 C   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
    2.1916   -0.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.5990    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
    5.1630    2.0794    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  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  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
 10 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
92043553

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
161

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(Z)-but-2-enyl]-2-methyl-cyclopentene

>  <PUBCHEM_IUPAC_CAS_NAME>
1-[(Z)-but-2-enyl]-2-methylcyclopentene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(<I>Z</I>)-but-2-enyl]-2-methylcyclopentene

>  <PUBCHEM_IUPAC_NAME>
1-[(Z)-but-2-enyl]-2-methylcyclopentene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(Z)-but-2-enyl]-2-methyl-cyclopentene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(Z)-but-2-enyl]-2-methyl-cyclopentene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-3-4-7-10-8-5-6-9(10)2/h3-4H,5-8H2,1-2H3/b4-3-

>  <PUBCHEM_IUPAC_INCHIKEY>
QUQOZOBHIUEDSV-ARJAWSKDSA-N

>  <PUBCHEM_XLOGP3_AA>
2.7

>  <PUBCHEM_EXACT_MASS>
136.125201

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16

>  <PUBCHEM_MOLECULAR_WEIGHT>
136.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CCC1=C(CCC1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C\CC1=C(CCC1)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125201

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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

$$$$
