
 CHEMBL133939

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.2339    0.5283    1.7418 C   0  0  0  0  0
    3.2247   -0.8818    2.1133 N   0  0  0  0  0
    3.3049   -1.0576    3.5641 C   0  0  0  0  0
    2.9214   -2.5130    3.7265 C   0  0  0  0  0
    1.8042   -2.7049    2.7140 C   0  0  0  0  0
    1.9974   -1.5848    1.6770 C   0  0  0  0  0
    2.1345   -2.1176    0.2371 C   0  0  0  0  0
    0.9021   -2.8061   -0.2732 C   0  0  0  0  0
    0.7964   -4.1411   -0.6164 C   0  0  0  0  0
   -0.4867   -4.3814   -1.0256 N   0  0  0  0  0
   -1.2313   -3.2274   -0.9595 C   0  0  0  0  0
   -0.3828   -2.2164   -0.5092 C   0  0  0  0  0
   -0.9042   -0.9101   -0.3714 C   0  0  0  0  0
   -2.2504   -0.6643   -0.6604 C   0  0  0  0  0
   -3.0685   -1.7057   -1.0999 C   0  0  0  0  0
   -2.5772   -3.0053   -1.2647 C   0  0  0  0  0
   -2.8794    0.5478   -0.5507 O   0  0  0  0  0
   -2.0949    1.6365   -0.0795 C   0  0  0  0  0
    3.1950    0.6461    0.6541 H   0  0  0  0  0
    4.1621    1.0034    2.0778 H   0  0  0  0  0
    2.3916    1.0792    2.1759 H   0  0  0  0  0
    2.5906   -0.4162    4.0957 H   0  0  0  0  0
    4.3115   -0.8615    3.9460 H   0  0  0  0  0
    3.7680   -3.1626    3.4712 H   0  0  0  0  0
    2.6035   -2.7535    4.7453 H   0  0  0  0  0
    1.8357   -3.7147    2.2942 H   0  0  0  0  0
    0.8336   -2.5785    3.2096 H   0  0  0  0  0
    1.1326   -0.9125    1.7524 H   0  0  0  0  0
    2.9866   -2.8079    0.1800 H   0  0  0  0  0
    2.3644   -1.2915   -0.4476 H   0  0  0  0  0
    1.5279   -4.9381   -0.5988 H   0  0  0  0  0
   -0.8423   -5.2771   -1.3321 H   0  0  0  0  0
   -0.2391   -0.1243   -0.0379 H   0  0  0  0  0
   -4.1135   -1.5029   -1.3229 H   0  0  0  0  0
   -3.2242   -3.8042   -1.6121 H   0  0  0  0  0
   -2.7399    2.5193   -0.0332 H   0  0  0  0  0
   -1.2750    1.8594   -0.7703 H   0  0  0  0  0
   -1.7198    1.4457    0.9316 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133939

>  <PubChem CID>
10105889

>  <Formula>
C15H20N2O

>  <Molecular Weight>
244.338000

>  <IUPAC Name>
5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)OC

>  <Isomeric SMILES>
CN1CCC[C@H]1CC2=CNC3=C2C=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1

>  <InChI Key>
MKEGUJPBCIXABO-LBPRGKRZSA-N

