119478
  -OEChem-05102421102D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0159   -2.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469   -2.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    2.2384    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.3089    1.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0501    0.2899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7078    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490   -0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289    2.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018    0.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9028    1.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541   -0.8075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430   -0.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    1.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    1.0285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092    3.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    3.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    2.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -3.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -3.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704   -3.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  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 14  1  6  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  1  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
119478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
260

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAABAAAAAAAAAAAHgAAAAAADCjBgAYCCAMABACIAiDSCACAAAAgAAAACAEIAEgABBoAoQAEEAAGgACIIYOYyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl (1<I>R</I>,5<I>S</I>)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MPSNEAHFGOEKBI-VXNVDRBHSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
181.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
181.23

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
181.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
4  14  6
5  15  5

$$$$