5-methylidene-3-propylfuran-2-one

C8H10O2 — CID 86080156

IUPAC5-methylidene-3-propylfuran-2-one
SMILESC=C1C=C(CCC)C(=O)O1
InChIInChI=1S/C8H10O2/c1-3-4-7-5-6(2)10-8(7)9/h5H,2-4H2,1H3
InChIKeyVQDZSMBZJHDVFB-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.78
Rot. Bonds2

About 5-methylidene-3-propylfuran-2-one

5-methylidene-3-propylfuran-2-one (PubChem CID 86080156) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methylidene-3-propylfuran-2-one.

Molecular Properties

Compound Name5-methylidene-3-propylfuran-2-one
PubChem CID86080156
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-methylidene-3-propylfuran-2-one
SMILESC=C1C=C(CCC)C(=O)O1
InChIInChI=1S/C8H10O2/c1-3-4-7-5-6(2)10-8(7)9/h5H,2-4H2,1H3
InChIKeyVQDZSMBZJHDVFB-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-propylfuran-2-one?
The IUPAC name of 5-methylidene-3-propylfuran-2-one (CID 86080156) is 5-methylidene-3-propylfuran-2-one.
What is the SMILES notation for 5-methylidene-3-propylfuran-2-one?
The canonical SMILES for 5-methylidene-3-propylfuran-2-one is C=C1C=C(CCC)C(=O)O1.
What is the InChIKey of 5-methylidene-3-propylfuran-2-one?
The InChIKey is VQDZSMBZJHDVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-4-7-5-6(2)10-8(7)9/h5H,2-4H2,1H3.
What are the key properties of 5-methylidene-3-propylfuran-2-one?
5-methylidene-3-propylfuran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-propylfuran-2-one is sourced from PubChem (CID 86080156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).