
 alpha-methyl-5-HT

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6825   -0.8898   -3.4711 C   0  0  0  0  0
    2.6736   -0.2733   -2.5006 C   0  0  0  0  0
    2.6719   -0.9753   -1.1259 C   0  0  0  0  0
    2.1928   -2.3949   -1.1695 C   0  0  0  0  0
    2.9864   -3.5218   -1.2683 C   0  0  0  0  0
    2.1741   -4.6223   -1.2814 N   0  0  0  0  0
    0.8575   -4.2432   -1.1724 C   0  0  0  0  0
    0.8356   -2.8496   -1.0990 C   0  0  0  0  0
   -0.4111   -2.2037   -0.9766 C   0  0  0  0  0
   -1.5733   -2.9755   -0.9293 C   0  0  0  0  0
   -1.5296   -4.3628   -1.0067 C   0  0  0  0  0
   -0.3044   -5.0253   -1.1317 C   0  0  0  0  0
   -2.7619   -2.3136   -0.8015 O   0  0  0  0  0
    3.0033    1.1548   -2.3544 N   0  0  0  0  0
    3.7182   -0.3268   -4.4106 H   0  0  0  0  0
    3.4079   -1.9179   -3.7261 H   0  0  0  0  0
    4.6925   -0.9026   -3.0473 H   0  0  0  0  0
    1.6755   -0.3399   -2.9497 H   0  0  0  0  0
    2.0281   -0.4163   -0.4326 H   0  0  0  0  0
    3.6797   -0.9464   -0.6891 H   0  0  0  0  0
    4.0608   -3.6310   -1.3379 H   0  0  0  0  0
    2.4911   -5.5781   -1.3535 H   0  0  0  0  0
   -0.4755   -1.1224   -0.9149 H   0  0  0  0  0
   -2.4404   -4.9527   -0.9700 H   0  0  0  0  0
   -0.2614   -6.1072   -1.1924 H   0  0  0  0  0
   -3.4782   -2.9685   -0.7796 H   0  0  0  0  0
    3.9230    1.2529   -1.9249 H   0  0  0  0  0
    2.3412    1.5927   -1.7140 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
alpha-methyl-5-HT

>  <PubChem CID>
2107

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
3-(2-aminopropyl)-1H-indol-5-ol

>  <XlogP>
0.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CNC2=C1C=C(C=C2)O)N

>  <Isomeric SMILES>
CC(CC1=CNC2=C1C=C(C=C2)O)N

>  <InChI Std. ID>
InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3

>  <InChI Key>
LYPCGXKCQDYTFV-UHFFFAOYSA-N

