N-ethylmaleimide   Click here for help

GtoPdb Ligand ID: 5335

PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 37.38
Molecular weight 125.05
XLogP -0.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1C(=O)C=CC1=O
Isomeric SMILES CCN1C(=O)C=CC1=O
InChI InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
InChI Key HDFGOPSGAURCEO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-ethylpyrrole-2,5-dione
Database Links Click here for help
ChEMBL Ligand CHEMBL8211
GtoPdb PubChem SID 178101999
PubChem CID 4362
RCSB PDB Ligand NEQ
Search Google for chemical match using the InChIKey HDFGOPSGAURCEO-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey HDFGOPSGAURCEO-UHFFFAOYSA-N
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Wikipedia N-Ethylmaleimide