Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DEN : Summary

Code

DEN

One-letter code

X

Molecule name

INDENE

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-indene
OpenEye OEToolkits 1.5.0 1H-indene

Formula

C9 H8

Formal charge

0

Molecular weight

116.16 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc2c1C=CC2
SMILES CACTVS 3.341 C1C=Cc2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CC=C2
Canonical SMILES CACTVS 3.341 C1C=Cc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CC=C2

IUPAC InChI

InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

IUPAC InChI key

YBYIRNPNPLQARY-UHFFFAOYSA-N
DEN

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned