125559
  -OEChem-05102422512D

 27 29  0     0  0  0  0  0  0999 V2000
    2.5836    0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734    0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
125559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAaIAAAAwAAAAAAAAAGgBAAAAHgAQAAAADCzBmAcyDoLABACAAiBCAAACCAAgIAAAiIAOiIgdJiKEsRukMCIk0BEOqAeQ0LMOoAABAAAQQABAAAIAACCAACAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-6,7-dihydro-5<I>H</I>-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_NAME>
N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl(methyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13NO2/c1-12-9-2-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9,12H,2-3,6H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KNZKMFXEUONVMF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
191.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
191.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1CC2=CC3=C(C=C2C1)OCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1CC2=CC3=C(C=C2C1)OCO3

> <PUBCHEM_CACTVS_TPSA>
30.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
191.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$