Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

CGN : Summary

Code

CGN

One-letter code

X

Molecule name

5-OXO-PYRROLIDINE-2-CARBALDEHYDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-5-oxopyrrolidine-2-carbaldehyde
OpenEye OEToolkits 1.5.0 (2S)-5-oxopyrrolidine-2-carbaldehyde

Formula

C5 H7 N O2

Formal charge

0

Molecular weight

113.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC1NC(=O)CC1
SMILES CACTVS 3.341 O=C[CH]1CCC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1CC(=O)NC1C=O
Canonical SMILES CACTVS 3.341 O=C[C@@H]1CCC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CC(=O)N[C@@H]1C=O

IUPAC InChI

InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1

IUPAC InChI key

XBGYMVTXOUKXLG-BYPYZUCNSA-N
CGN

wwPDB Information

Atom count

15 (8 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