
 Tryptoline

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6810   -1.6095   -0.0097 C   0  0  0  0  0
   -3.1109   -1.0822    0.2748 C   0  0  0  0  0
   -3.4196    0.1940   -0.4071 N   0  0  0  0  0
   -2.5348    1.2805    0.0494 C   0  0  0  0  0
   -1.1228    0.8205    0.0408 C   0  0  0  0  0
   -0.6975   -0.4916    0.0365 C   0  0  0  0  0
    0.7221   -0.4878    0.0295 C   0  0  0  0  0
    1.7109   -1.4904    0.0064 C   0  0  0  0  0
    3.0614   -1.1227   -0.0137 C   0  0  0  0  0
    3.4323    0.2203   -0.0100 C   0  0  0  0  0
    2.4701    1.2346    0.0150 C   0  0  0  0  0
    1.1232    0.8519    0.0332 C   0  0  0  0  0
   -0.0195    1.6257    0.0456 N   0  0  0  0  0
   -1.6510   -2.0654   -1.0064 H   0  0  0  0  0
   -1.4219   -2.3819    0.7225 H   0  0  0  0  0
   -3.8339   -1.8394   -0.0489 H   0  0  0  0  0
   -3.2518   -0.9542    1.3559 H   0  0  0  0  0
   -4.3835    0.4557   -0.2141 H   0  0  0  0  0
   -2.8170    1.5883    1.0631 H   0  0  0  0  0
   -2.6622    2.1436   -0.6123 H   0  0  0  0  0
    1.4298   -2.5388   -0.0023 H   0  0  0  0  0
    3.8261   -1.8946   -0.0368 H   0  0  0  0  0
    4.4870    0.4851   -0.0307 H   0  0  0  0  0
    2.7634    2.2790    0.0127 H   0  0  0  0  0
   -0.0256    2.6356    0.0410 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
Tryptoline

>  <PubChem CID>
107838

>  <Formula>
C11H12N2

>  <Molecular Weight>
172.231000

>  <IUPAC Name>
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CNCC2=C1C3=CC=CC=C3N2

>  <Isomeric SMILES>
C1CNCC2=C1C3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2

>  <InChI Key>
CFTOTSJVQRFXOF-UHFFFAOYSA-N

