3H-furan-2-one;hydrate

C4H6O3 — CID 141489763

IUPAC3H-furan-2-one;hydrate
SMILESO.O=C1CC=CO1
InChIInChI=1S/C4H4O2.H2O/c5-4-2-1-3-6-4;/h1,3H,2H2;1H2
InChIKeyMCZDFZMYELBCFT-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.38
Rot. Bonds

About 3H-furan-2-one;hydrate

3H-furan-2-one;hydrate (PubChem CID 141489763) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 3H-furan-2-one;hydrate.

Molecular Properties

Compound Name3H-furan-2-one;hydrate
PubChem CID141489763
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name3H-furan-2-one;hydrate
SMILESO.O=C1CC=CO1
InChIInChI=1S/C4H4O2.H2O/c5-4-2-1-3-6-4;/h1,3H,2H2;1H2
InChIKeyMCZDFZMYELBCFT-UHFFFAOYSA-N
XLogP-0.38
TPSA57.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-furan-2-one;hydrate?
The IUPAC name of 3H-furan-2-one;hydrate (CID 141489763) is 3H-furan-2-one;hydrate.
What is the SMILES notation for 3H-furan-2-one;hydrate?
The canonical SMILES for 3H-furan-2-one;hydrate is O.O=C1CC=CO1.
What is the InChIKey of 3H-furan-2-one;hydrate?
The InChIKey is MCZDFZMYELBCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.H2O/c5-4-2-1-3-6-4;/h1,3H,2H2;1H2.
What are the key properties of 3H-furan-2-one;hydrate?
3H-furan-2-one;hydrate has a molecular weight of 102.09 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2-one;hydrate is sourced from PubChem (CID 141489763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).