66915701
  -OEChem-08092309032D

 25 28  0     0  0  0  0  0  0999 V2000
    4.6051   -0.5014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    2.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0938   -1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0938   -2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598   -1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -1.6309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4832   -2.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058   -3.0531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583   -2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583   -1.4955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6056    0.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    2.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    3.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.4704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66915701

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAGAAAAQIAAAAgAAAAAAAAAEAAAAAAHAAAAAAADQjBAAQAAAIAAACgAyRmRACAAAAgAgAICAAwABgIAAIAAQAAAAAAgAAIgAIAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-cyclopropylpyrrolo[2,3-e]indole

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyclopropylpyrrolo[2,3-e]indole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-cyclopropylpyrrolo[2,3-e]indole

> <PUBCHEM_IUPAC_NAME>
2-cyclopropylpyrrolo[2,3-e]indole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-cyclopropylpyrrolo[2,3-e]indole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-cyclopropylpyrrol[2,3-e]indole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N2/c1-2-8(1)12-7-9-3-4-11-10(5-6-14-11)13(9)15-12/h3-8H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
ANDCDPBTSFSYLB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
194.084398327

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
194.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C2=NC3=C4C=CN=C4C=CC3=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C2=NC3=C4C=CN=C4C=CC3=C2

> <PUBCHEM_CACTVS_TPSA>
24.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
194.084398327

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  13  8
12  13  8
8  11  8
8  9  8
9  10  8

$$$$
