Chemical Components in the PDB

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NEN : Summary

Code

NEN

One-letter code

X

Molecule name

1-ETHYL-PYRROLIDINE-2,5-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-ethylpyrrolidine-2,5-dione
OpenEye OEToolkits 1.5.0 1-ethylpyrrolidine-2,5-dione

Formula

C6 H9 N O2

Formal charge

0

Molecular weight

127.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N(C(=O)CC1)CC
SMILES CACTVS 3.341 CCN1C(=O)CCC1=O
SMILES OpenEye OEToolkits 1.5.0 CCN1C(=O)CCC1=O
Canonical SMILES CACTVS 3.341 CCN1C(=O)CCC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCN1C(=O)CCC1=O

IUPAC InChI

InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3

IUPAC InChI key

GHAZCVNUKKZTLG-UHFFFAOYSA-N
NEN

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-08-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned