BUT-3-EN-2-ONE

Structure

2D structure of BUT-3-EN-2-ONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6570

Names and identifiers

Name

BUT-3-EN-2-ONE

IUPAC name

but-3-en-2-one

SMILES

CC(=O)[C]=C

General information

Molecular formula

C4H5O

Molecular weight

69.08 g/mol

Monoisotopic mass

69.0340 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Sambucus nigra L. flower, essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. leaf, essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.