Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001878

Phytochemical name: 2-Methyl-2-pentenal

Synonymous chemical names:
2-methyl-2-pentanal, 2-methyl-2-pentenal, pent-2-enal, 2-methyl, 2-methylpent-2-enal

External chemical identifiers:
CID:CID_5319754, ChEMBL:CHEMBL2270062, ZINC:ZINC000001699996, FDASRS:98QAG1U530, SureChEMBL:SCHEMBL191298, MolPort-001-783-400

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Chemical structure information

SMILES:
C/C(=C\CC)/C=O

InChI:
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+

InChIKey:
IDEYZABHVQLHAF-GQCTYLIASA-N

DeepSMILES:
C/C=C\CC)))/C=O

Functional groups:
C/C=C(\C)C=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.288

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Chemical structure download