Chemical Components in the PDB

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RRI : Summary

Code

RRI

One-letter code

X

Molecule name

1-indol-1-ylethanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 1-(2,3-dihydroindol-1-yl)ethanone

Formula

C10 H11 N O

Formal charge

0

Molecular weight

161.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N1CCc2ccccc12
SMILES OpenEye OEToolkits 3.1.0.0 CC(=O)N1CCc2c1cccc2
Canonical SMILES CACTVS 3.385 CC(=O)N1CCc2ccccc12
Canonical SMILES OpenEye OEToolkits 3.1.0.0 CC(=O)N1CCc2c1cccc2

IUPAC InChI

InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3

IUPAC InChI key

RNTCWULFNYNFGI-UHFFFAOYSA-N
RRI

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-12-06

Last modified at

2022-12-23

Status

Released

Obsoleted

Not Assigned