Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

NEN

Summary
Name:1-ETHYL-PYRROLIDINE-2,5-DIONE
Formula:C6 H9 N O2
Formal charge:0
Formula weight:127.141 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-ethylpyrrolidine-2,5-dione
OpenEye OEToolkits1.5.01-ethylpyrrolidine-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(C(=O)CC1)CC
SMILES_CANONICALCACTVS3.341CCN1C(=O)CCC1=O
SMILESCACTVS3.341CCN1C(=O)CCC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN1C(=O)CCC1=O
SMILESOpenEye OEToolkits1.5.0CCN1C(=O)CCC1=O
InChIInChI1.03InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyInChI1.03GHAZCVNUKKZTLG-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon