
 CHEMBL137485

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.2307    1.2185    1.2231 C   0  0  0  0  0
    2.4564   -0.0038    1.9854 N   0  0  0  0  0
    2.6576    0.2787    3.4073 C   0  0  0  0  0
    2.5455   -1.0999    4.0235 C   0  0  0  0  0
    1.4765   -1.7977    3.1934 C   0  0  0  0  0
    1.3194   -0.9493    1.9202 C   0  0  0  0  0
    1.3393   -1.7861    0.6282 C   0  0  0  0  0
    0.2437   -2.8081    0.5312 C   0  0  0  0  0
    0.4181   -4.1794    0.5298 C   0  0  0  0  0
   -0.8065   -4.7722    0.3952 N   0  0  0  0  0
   -1.7889   -3.8158    0.3056 C   0  0  0  0  0
   -1.1626   -2.5723    0.3875 C   0  0  0  0  0
   -1.9676   -1.4163    0.3131 C   0  0  0  0  0
   -3.3581   -1.5314    0.1689 C   0  0  0  0  0
   -3.9463   -2.7926    0.0879 C   0  0  0  0  0
   -3.1722   -3.9581    0.1531 C   0  0  0  0  0
   -4.0221   -0.3338    0.1204 O   0  0  0  0  0
   -5.4357   -0.3877   -0.0247 C   0  0  0  0  0
    2.1195    0.9996    0.1563 H   0  0  0  0  0
    3.0935    1.8875    1.3162 H   0  0  0  0  0
    1.3396    1.7613    1.5579 H   0  0  0  0  0
    1.8778    0.9382    3.8085 H   0  0  0  0  0
    3.6365    0.7276    3.6034 H   0  0  0  0  0
    3.4961   -1.6388    3.9260 H   0  0  0  0  0
    2.2869   -1.0631    5.0859 H   0  0  0  0  0
    1.7736   -2.8331    2.9975 H   0  0  0  0  0
    0.5283   -1.8199    3.7440 H   0  0  0  0  0
    0.3707   -0.4008    1.9983 H   0  0  0  0  0
    2.3103   -2.2919    0.5367 H   0  0  0  0  0
    1.2588   -1.1259   -0.2445 H   0  0  0  0  0
    1.3151   -4.7798    0.6054 H   0  0  0  0  0
   -0.9705   -5.7683    0.3565 H   0  0  0  0  0
   -1.5154   -0.4305    0.3675 H   0  0  0  0  0
   -5.0185   -2.9123   -0.0299 H   0  0  0  0  0
   -3.6369   -4.9364    0.0854 H   0  0  0  0  0
   -5.8103    0.6404   -0.0365 H   0  0  0  0  0
   -5.9018   -0.9010    0.8231 H   0  0  0  0  0
   -5.7169   -0.8552   -0.9742 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>
CHEMBL137485

>  <PubChem CID>
9881324

>  <Formula>
C15H20N2O

>  <Molecular Weight>
244.338000

>  <IUPAC Name>
5-methoxy-3-[[(2R)-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-/m1/s1

>  <InChI Key>
MKEGUJPBCIXABO-GFCCVEGCSA-N

