Chemical Components in the PDB

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LOQ : Summary

Code

LOQ

One-letter code

X

Molecule name

1-(4-methylphenyl)pyrrolidine-2,5-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-(4-methylphenyl)pyrrolidine-2,5-dione

Formula

C11 H11 N O2

Formal charge

0

Molecular weight

189.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(cc1)N2C(=O)CCC2=O
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)N2C(=O)CCC2=O
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)N2C(=O)CCC2=O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)N2C(=O)CCC2=O

IUPAC InChI

InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3

IUPAC InChI key

IDSFKFXFMNGXCK-UHFFFAOYSA-N
LOQ

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-30

Last modified at

2019-09-27

Status

Released

Obsoleted

Not Assigned