Summary

IMPPAT Phytochemical identifier: IMPHY015408

Phytochemical name: 5-Ethylhydantoin

Synonymous chemical names:
5-ethyl-hydantoin

External chemical identifiers:
CID:253217, SureChEMBL:SCHEMBL191784, MolPort-005-932-447

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Chemical structure information

SMILES:
CCC1NC(=O)NC1=O

InChI:
InChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)

InChIKey:
RSBRXBZGVHQUJK-UHFFFAOYSA-N

DeepSMILES:
CCCNC=O)NC5=O

Functional groups:
O=C1CNC(=O)N1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CNC(=O)N1

Scaffold Graph/Node level:
OC1CNC(O)N1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azolidines

ClassyFire Subclass: Imidazolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Simple diketopiperazine alkaloids

NP-Likeness score: 0.081

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Chemical structure download