
 N-Methylserotonin

 28 29  0  0  0  0  0  0  0  0999 V2000
    4.0897    0.1427   -3.3211 C   0  0  0  0  0
    4.3707    0.5168   -1.9416 N   0  0  0  0  0
    4.8749    1.8946   -1.8646 C   0  0  0  0  0
    5.1518    2.2923   -0.4078 C   0  0  0  0  0
    5.6427    3.7025   -0.2889 C   0  0  0  0  0
    4.8554    4.8314   -0.1669 C   0  0  0  0  0
    5.6758    5.9226   -0.0814 N   0  0  0  0  0
    6.9935    5.5343   -0.1434 C   0  0  0  0  0
    7.0053    4.1441   -0.2750 C   0  0  0  0  0
    8.2515    3.4900   -0.3602 C   0  0  0  0  0
    9.4214    4.2478   -0.3065 C   0  0  0  0  0
    9.3869    5.6310   -0.1744 C   0  0  0  0  0
    8.1634    6.3027   -0.0909 C   0  0  0  0  0
   10.6085    3.5770   -0.3881 O   0  0  0  0  0
    3.7013   -0.8800   -3.3488 H   0  0  0  0  0
    4.9930    0.1773   -3.9386 H   0  0  0  0  0
    3.3286    0.7950   -3.7617 H   0  0  0  0  0
    5.0697   -0.1191   -1.5575 H   0  0  0  0  0
    4.1349    2.5825   -2.2927 H   0  0  0  0  0
    5.7957    1.9914   -2.4539 H   0  0  0  0  0
    5.8900    1.6093    0.0314 H   0  0  0  0  0
    4.2357    2.1808    0.1868 H   0  0  0  0  0
    3.7802    4.9461   -0.1327 H   0  0  0  0  0
    5.3643    6.8789    0.0169 H   0  0  0  0  0
    8.3073    2.4105   -0.4618 H   0  0  0  0  0
   10.3044    6.2110   -0.1334 H   0  0  0  0  0
    8.1272    7.3823    0.0133 H   0  0  0  0  0
   11.3316    4.2210   -0.3219 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  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  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
N-Methylserotonin

>  <PubChem CID>
150885

>  <Formula>
C11H14N2O

>  <Molecular Weight>
190.246000

>  <IUPAC Name>
3-[2-(methylamino)ethyl]-1H-indol-5-ol

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CNCCC1=CNC2=C1C=C(C=C2)O

>  <Isomeric SMILES>
CNCCC1=CNC2=C1C=C(C=C2)O

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

>  <InChI Key>
ASUSBMNYRHGZIG-UHFFFAOYSA-N

