Chemical Components in the PDB

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TSR : Summary

Code

TSR

One-letter code

X

Molecule name

2-(1H-INDOL-3-YL)ACETAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(1H-indol-3-yl)acetamide
OpenEye OEToolkits 1.5.0 2-(1H-indol-3-yl)ethanamide

Formula

C10 H10 N2 O

Formal charge

0

Molecular weight

174.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)Cc2c1ccccc1nc2
SMILES CACTVS 3.341 NC(=O)Cc1c[nH]c2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CC(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)Cc1c[nH]c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CC(=O)N

IUPAC InChI

InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)

IUPAC InChI key

ZOAMBXDOGPRZLP-UHFFFAOYSA-N
TSR

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned