3H-furan-2-one

C8H8O4 — CID 140988440

IUPAC3H-furan-2-one
SMILESO=C1CC=CO1.O=C1CC=CO1
InChIInChI=1S/2C4H4O2/c2*5-4-2-1-3-6-4/h2*1,3H,2H2
InChIKeyKFNNRSFTPLQQPO-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.89
Rot. Bonds

About 3H-furan-2-one

3H-furan-2-one (PubChem CID 140988440) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3H-furan-2-one.

Molecular Properties

Compound Name3H-furan-2-one
PubChem CID140988440
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name3H-furan-2-one
SMILESO=C1CC=CO1.O=C1CC=CO1
InChIInChI=1S/2C4H4O2/c2*5-4-2-1-3-6-4/h2*1,3H,2H2
InChIKeyKFNNRSFTPLQQPO-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-furan-2-one?
The IUPAC name of 3H-furan-2-one (CID 140988440) is 3H-furan-2-one.
What is the SMILES notation for 3H-furan-2-one?
The canonical SMILES for 3H-furan-2-one is O=C1CC=CO1.O=C1CC=CO1.
What is the InChIKey of 3H-furan-2-one?
The InChIKey is KFNNRSFTPLQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4O2/c2*5-4-2-1-3-6-4/h2*1,3H,2H2.
What are the key properties of 3H-furan-2-one?
3H-furan-2-one has a molecular weight of 168.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2-one is sourced from PubChem (CID 140988440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).