
 RU 24969

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1121   -0.2279    0.1004 C   0  0  0  0  0
    3.4711    0.1904    0.0916 O   0  0  0  0  0
    3.7009    1.5401    0.0485 C   0  0  0  0  0
    2.7165    2.5335    0.0049 C   0  0  0  0  0
    3.0987    3.8939   -0.0327 C   0  0  0  0  0
    4.4578    4.2109   -0.0302 C   0  0  0  0  0
    5.4583    3.2357    0.0109 C   0  0  0  0  0
    5.0504    1.8977    0.0509 C   0  0  0  0  0
    4.5566    5.5840   -0.0749 N   0  0  0  0  0
    3.3091    6.1508   -0.1017 C   0  0  0  0  0
    2.3877    5.1289   -0.0741 C   0  0  0  0  0
    0.9774    5.3174   -0.0846 C   0  0  0  0  0
    0.2364    5.3703   -1.2044 C   0  0  0  0  0
   -1.2493    5.5649   -1.1902 C   0  0  0  0  0
   -1.7733    6.0235    0.1006 N   0  0  0  0  0
   -1.1879    5.2426    1.1976 C   0  0  0  0  0
    0.3381    5.4101    1.2773 C   0  0  0  0  0
    2.0989   -1.3213    0.1492 H   0  0  0  0  0
    1.6015    0.0703   -0.8214 H   0  0  0  0  0
    1.5872    0.1499    0.9844 H   0  0  0  0  0
    1.6593    2.2991   -0.0018 H   0  0  0  0  0
    6.5114    3.4959    0.0127 H   0  0  0  0  0
    5.8065    1.1155    0.0844 H   0  0  0  0  0
    5.4286    6.0946   -0.0859 H   0  0  0  0  0
    3.1892    7.2251   -0.1378 H   0  0  0  0  0
    0.7092    5.2610   -2.1768 H   0  0  0  0  0
   -1.5212    6.3042   -1.9519 H   0  0  0  0  0
   -1.7378    4.6255   -1.4737 H   0  0  0  0  0
   -1.5030    7.0002    0.2176 H   0  0  0  0  0
   -1.4495    4.1835    1.0767 H   0  0  0  0  0
   -1.6361    5.5655    2.1439 H   0  0  0  0  0
    0.7357    4.6417    1.9518 H   0  0  0  0  0
    0.5747    6.3882    1.7160 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
RU 24969

>  <PubChem CID>
108029

>  <Formula>
C14H16N2O

>  <Molecular Weight>
228.295000

>  <IUPAC Name>
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)NC=C2C3=CCNCC3

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)NC=C2C3=CCNCC3

>  <InChI Std. ID>
InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3

>  <InChI Key>
KRVMLPUDAOWOGN-UHFFFAOYSA-N

