10466404
  -OEChem-04242421322D

 35 37  0     1  0  0  0  0  0999 V2000
    2.8660    0.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758    1.7007    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -1.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7094    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8772    2.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5781    1.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480   -0.2966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0730   -0.3847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8275    0.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1663    0.8066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9868    1.6582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3712    2.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.2013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4147    2.8767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682    3.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398    2.2586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.5676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 35  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  6  0  0  0
  4 18  1  0  0  0  0
  5  6  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
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10466404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
271

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB8AAAHgAQCAAADCzBngQ+xvPJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhm0BnI2Aew0OMOgAAAAgAKAAAAAAAEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[[(2<I>R</I>)-1-methylpyrrolidin-2-yl]methyl]-1<I>H</I>-indol-4-ol

> <PUBCHEM_IUPAC_NAME>
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H18N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,9,11,15,17H,3-4,7-8H2,1H3/t11-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XYRKPZYRLSWABB-LLVKDONJSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
230.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C14H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
230.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCCC1CC2=CNC3=C2C(=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC[C@@H]1CC2=CNC3=C2C(=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
39.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.141913202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
11  13  8
11  14  8
13  15  8
14  16  8
15  17  8
16  17  8
3  12  8
3  13  8
4  8  6
9  11  8
9  12  8

$$$$