3-hydroxy-2H-furan-5-one

C4H4O3 — CID 54683813

IUPAC3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)CO1
InChIInChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
InChIKeyJZQBAGOECGRTSA-UHFFFAOYSA-N
MW100.07 g/mol
LogP-0.01
Rot. Bonds

About 3-hydroxy-2H-furan-5-one

3-hydroxy-2H-furan-5-one (PubChem CID 54683813) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is 3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2H-furan-5-one
PubChem CID54683813
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)CO1
InChIInChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
InChIKeyJZQBAGOECGRTSA-UHFFFAOYSA-N
XLogP-0.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2H-furan-5-one (CID 54683813) is 3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2H-furan-5-one is O=C1C=C(O)CO1.
What is the InChIKey of 3-hydroxy-2H-furan-5-one?
The InChIKey is JZQBAGOECGRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2.
What are the key properties of 3-hydroxy-2H-furan-5-one?
3-hydroxy-2H-furan-5-one has a molecular weight of 100.07 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54683813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).