Summary

IMPPAT Phytochemical identifier: IMPHY015334

Phytochemical name: 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione

Synonymous chemical names:
3-ethyl-4-methyl-1h-pyrrole-2,5- - dione, 3-ethyl-4-methyl-1h-pyrrole-2,5-dione (2-ethyl-3-methylmaleimide)

External chemical identifiers:
CID:29995, ZINC:ZINC000005509277, FDASRS:S5G691PF96, SureChEMBL:SCHEMBL6239729

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Chemical structure information

SMILES:
CCC1=C(C)C(=O)NC1=O

InChI:
InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)

InChIKey:
CUBICSJJYOPOIA-UHFFFAOYSA-N

DeepSMILES:
CCC=CC)C=O)NC5=O

Functional groups:
CC1=C(C)C(=O)NC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)N1

Scaffold Graph/Node level:
OC1CCC(O)N1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: Pyrrolidones

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.535

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Chemical structure download