5-cyclobutylfuran-3-one

C8H10O2 — CID 175786313

IUPAC5-cyclobutylfuran-3-one
SMILESO=C1C=C(C2CCC2)OC1
InChIInChI=1S/C8H10O2/c9-7-4-8(10-5-7)6-2-1-3-6/h4,6H,1-3,5H2
InChIKeySWTKCZNYYVUSTJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds1

About 5-cyclobutylfuran-3-one

5-cyclobutylfuran-3-one (PubChem CID 175786313) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-cyclobutylfuran-3-one.

Molecular Properties

Compound Name5-cyclobutylfuran-3-one
PubChem CID175786313
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-cyclobutylfuran-3-one
SMILESO=C1C=C(C2CCC2)OC1
InChIInChI=1S/C8H10O2/c9-7-4-8(10-5-7)6-2-1-3-6/h4,6H,1-3,5H2
InChIKeySWTKCZNYYVUSTJ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylfuran-3-one?
The IUPAC name of 5-cyclobutylfuran-3-one (CID 175786313) is 5-cyclobutylfuran-3-one.
What is the SMILES notation for 5-cyclobutylfuran-3-one?
The canonical SMILES for 5-cyclobutylfuran-3-one is O=C1C=C(C2CCC2)OC1.
What is the InChIKey of 5-cyclobutylfuran-3-one?
The InChIKey is SWTKCZNYYVUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-4-8(10-5-7)6-2-1-3-6/h4,6H,1-3,5H2.
What are the key properties of 5-cyclobutylfuran-3-one?
5-cyclobutylfuran-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylfuran-3-one is sourced from PubChem (CID 175786313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).