Summary

IMPPAT Phytochemical identifier: IMPHY006226

Phytochemical name: 3-Amino-4,5-dimethyl-2(5H)-furanone

Synonymous chemical names:
3-amino-45-dimethyl-25h-furanone

External chemical identifiers:
CID:6421106

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Chemical structure information

SMILES:
CC1OC(=O)C(=C1C)N

InChI:
InChI=1S/C6H9NO2/c1-3-4(2)9-6(8)5(3)7/h4H,7H2,1-2H3

InChIKey:
AFXUOKDSKBJSRH-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)C=C5C))N

Functional groups:
CC1=C(N)C(=O)OC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP-Likeness score: 1.131

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Chemical structure download