Chemical Components in the PDB

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0LH : Summary

Code

0LH

One-letter code

X

Molecule name

2-(1H-indol-1-yl)ethanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(1H-indol-1-yl)ethanamine
OpenEye OEToolkits 1.7.6 2-indol-1-ylethanamine

Formula

C10 H12 N2

Formal charge

0

Molecular weight

160.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc2c1ccn2CCN
SMILES CACTVS 3.370 NCCn1ccc2ccccc12
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccn2CCN
Canonical SMILES CACTVS 3.370 NCCn1ccc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccn2CCN

IUPAC InChI

InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2

IUPAC InChI key

BXEFQUSYBZYTAE-UHFFFAOYSA-N
0LH

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-02-16

Last modified at

2012-02-24

Status

Released

Obsoleted

Not Assigned