4-ethenyl-3-hydroxy-3H-furan-2-one

C6H6O3 — CID 155907138

IUPAC4-ethenyl-3-hydroxy-3H-furan-2-one
SMILESC=CC1=COC(=O)C1O
InChIInChI=1S/C6H6O3/c1-2-4-3-9-6(8)5(4)7/h2-3,5,7H,1H2
InChIKeyYQCDJYPNHBWHKR-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.03
Rot. Bonds1

About 4-ethenyl-3-hydroxy-3H-furan-2-one

4-ethenyl-3-hydroxy-3H-furan-2-one (PubChem CID 155907138) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-ethenyl-3-hydroxy-3H-furan-2-one.

Molecular Properties

Compound Name4-ethenyl-3-hydroxy-3H-furan-2-one
PubChem CID155907138
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name4-ethenyl-3-hydroxy-3H-furan-2-one
SMILESC=CC1=COC(=O)C1O
InChIInChI=1S/C6H6O3/c1-2-4-3-9-6(8)5(4)7/h2-3,5,7H,1H2
InChIKeyYQCDJYPNHBWHKR-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-hydroxy-3H-furan-2-one?
The IUPAC name of 4-ethenyl-3-hydroxy-3H-furan-2-one (CID 155907138) is 4-ethenyl-3-hydroxy-3H-furan-2-one.
What is the SMILES notation for 4-ethenyl-3-hydroxy-3H-furan-2-one?
The canonical SMILES for 4-ethenyl-3-hydroxy-3H-furan-2-one is C=CC1=COC(=O)C1O.
What is the InChIKey of 4-ethenyl-3-hydroxy-3H-furan-2-one?
The InChIKey is YQCDJYPNHBWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-2-4-3-9-6(8)5(4)7/h2-3,5,7H,1H2.
What are the key properties of 4-ethenyl-3-hydroxy-3H-furan-2-one?
4-ethenyl-3-hydroxy-3H-furan-2-one has a molecular weight of 126.11 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-hydroxy-3H-furan-2-one is sourced from PubChem (CID 155907138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).