4-propylfuran-3-one

C7H10O2 — CID 59527642

IUPAC4-propylfuran-3-one
SMILESCCCC1=COCC1=O
InChIInChI=1S/C7H10O2/c1-2-3-6-4-9-5-7(6)8/h4H,2-3,5H2,1H3
InChIKeyASSXDSVCMBJWSY-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

About 4-propylfuran-3-one

4-propylfuran-3-one (PubChem CID 59527642) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-propylfuran-3-one.

Molecular Properties

Compound Name4-propylfuran-3-one
PubChem CID59527642
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-propylfuran-3-one
SMILESCCCC1=COCC1=O
InChIInChI=1S/C7H10O2/c1-2-3-6-4-9-5-7(6)8/h4H,2-3,5H2,1H3
InChIKeyASSXDSVCMBJWSY-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propylfuran-3-one?
The IUPAC name of 4-propylfuran-3-one (CID 59527642) is 4-propylfuran-3-one.
What is the SMILES notation for 4-propylfuran-3-one?
The canonical SMILES for 4-propylfuran-3-one is CCCC1=COCC1=O.
What is the InChIKey of 4-propylfuran-3-one?
The InChIKey is ASSXDSVCMBJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-3-6-4-9-5-7(6)8/h4H,2-3,5H2,1H3.
What are the key properties of 4-propylfuran-3-one?
4-propylfuran-3-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylfuran-3-one is sourced from PubChem (CID 59527642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).