Molecular Identity
N-Ethylmaleimide
1-ethylpyrrole-2,5-dione
PubChem CID: 4362
N-ethylmaleimide is a member of the class of maleimides that is the N-ethyl derivative of maleimide. It has a role as an anticoronaviral agent, an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor, an EC 2.7.1.1 (hexokinase) inhibitor and an EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor. It is functionally related to a maleimide.
2D Structure
Properties
C6H7NO2
Molecular Formula
125.13
Molecular Weight
g/mol
125.0477
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
37.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
165
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C(=O)C=CC1=OIsomeric SMILES
SMILES: CCN1C(=O)C=CC1=OSynonyms(20)
N-ethylmaleimide128-53-0ethylmaleimide1-ethylpyrrole-2,5-dione1H-pyrrole-2,5-dione, 1-ethyl-maleimide, N-ethyl-maleic acid N-ethylimideO3C74ACM9VDTXSID1059573NSC-7638CHEBI:44485N EthylmaleimideRefChem:139181DTXCID4033897204-892-4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-Ethylmaleimide
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