2H-furan-5-one

C4H4O2 — CID 10341

IUPAC2H-furan-5-one
SMILESO=C1C=CCO1
InChIInChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKeyVIHAEDVKXSOUAT-UHFFFAOYSA-N
MW84.07 g/mol
LogP0.10
Rot. Bonds

About 2H-furan-5-one

2H-furan-5-one (PubChem CID 10341) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is 2H-furan-5-one.

Molecular Properties

Compound Name2H-furan-5-one
PubChem CID10341
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name2H-furan-5-one
SMILESO=C1C=CCO1
InChIInChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKeyVIHAEDVKXSOUAT-UHFFFAOYSA-N
XLogP0.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Maleic Anhydride
CID 7923
Methyl Crotonate
CID 638132
Ethyl sorbate
CID 1550470
2-Butenoic acid, ethyl ester
CID 12191
Allyl sorbate
CID 6435833
Diallyl maleate
CID 5354266
Isobutyl 2-butenoate
CID 5365793
Ethyl trans-crotonate
CID 429065
Butyl crotonate
CID 5366039
Vinyl crotonate
CID 5365800
Isobutyl crotonate
CID 6435824
Propyl crotonate
CID 5365824

Frequently Asked Questions

What is the IUPAC name of 2H-furan-5-one?
The IUPAC name of 2H-furan-5-one (CID 10341) is 2H-furan-5-one.
What is the SMILES notation for 2H-furan-5-one?
The canonical SMILES for 2H-furan-5-one is O=C1C=CCO1.
What is the InChIKey of 2H-furan-5-one?
The InChIKey is VIHAEDVKXSOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2.
What are the key properties of 2H-furan-5-one?
2H-furan-5-one has a molecular weight of 84.07 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-furan-5-one is sourced from PubChem (CID 10341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).