4-ethenyl-2H-furan-5-one

C6H6O2 — CID 10877071

IUPAC4-ethenyl-2H-furan-5-one
SMILESC=CC1=CCOC1=O
InChIInChI=1S/C6H6O2/c1-2-5-3-4-8-6(5)7/h2-3H,1,4H2
InChIKeyZHCVVUYVRCVOAH-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.66
Rot. Bonds1

About 4-ethenyl-2H-furan-5-one

4-ethenyl-2H-furan-5-one (PubChem CID 10877071) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 4-ethenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-ethenyl-2H-furan-5-one
PubChem CID10877071
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name4-ethenyl-2H-furan-5-one
SMILESC=CC1=CCOC1=O
InChIInChI=1S/C6H6O2/c1-2-5-3-4-8-6(5)7/h2-3H,1,4H2
InChIKeyZHCVVUYVRCVOAH-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2H-furan-5-one?
The IUPAC name of 4-ethenyl-2H-furan-5-one (CID 10877071) is 4-ethenyl-2H-furan-5-one.
What is the SMILES notation for 4-ethenyl-2H-furan-5-one?
The canonical SMILES for 4-ethenyl-2H-furan-5-one is C=CC1=CCOC1=O.
What is the InChIKey of 4-ethenyl-2H-furan-5-one?
The InChIKey is ZHCVVUYVRCVOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c1-2-5-3-4-8-6(5)7/h2-3H,1,4H2.
What are the key properties of 4-ethenyl-2H-furan-5-one?
4-ethenyl-2H-furan-5-one has a molecular weight of 110.11 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2H-furan-5-one is sourced from PubChem (CID 10877071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).