101709
  -OEChem-05082404372D

 25 26  0     1  0  0  0  0  0999 V2000
    2.0159   -2.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469   -2.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    2.0486    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.3089    1.0659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0501    0.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7078    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    2.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782    1.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1328   -0.5144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018    0.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9028    1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541   -0.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430   -0.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    1.3748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    0.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092    3.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    3.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    2.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -2.9146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
247

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAABAAAAAAAAAAAHgAACAAADCjBgAQCCAMAAgCIAiDSCACAAAAgAAAACAEIAEgABBoAgQAEUAAGgACIEYOYyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
HZGRVVUQEIBCMS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
167.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
167.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCC1C(=CC2)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2CCC1C(=CC2)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <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>
2

> <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>
4  6  3
5  7  3

$$$$