furan-3-one

C4H4O2 — CID 529536

IUPACfuran-3-one
SMILESO=C1C=COC1
InChIInChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2
InChIKeyLYINKTVZUSKQEQ-UHFFFAOYSA-N
MW84.07 g/mol
LogP0.10
Rot. Bonds

About furan-3-one

furan-3-one (PubChem CID 529536) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is furan-3-one.

Molecular Properties

Compound Namefuran-3-one
PubChem CID529536
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Namefuran-3-one
SMILESO=C1C=COC1
InChIInChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2
InChIKeyLYINKTVZUSKQEQ-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

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Frequently Asked Questions

What is the IUPAC name of furan-3-one?
The IUPAC name of furan-3-one (CID 529536) is furan-3-one.
What is the SMILES notation for furan-3-one?
The canonical SMILES for furan-3-one is O=C1C=COC1.
What is the InChIKey of furan-3-one?
The InChIKey is LYINKTVZUSKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2.
What are the key properties of furan-3-one?
furan-3-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 furan-3-one is sourced from PubChem (CID 529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).