(5-methylidene-2-oxofuran-3-yl) acetate

C7H6O4 — CID 11062591

IUPAC(5-methylidene-2-oxofuran-3-yl) acetate
SMILESC=C1C=C(OC(C)=O)C(=O)O1
InChIInChI=1S/C7H6O4/c1-4-3-6(7(9)10-4)11-5(2)8/h3H,1H2,2H3
InChIKeyFURKFHDWKORGKO-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.50
Rot. Bonds1

About (5-methylidene-2-oxofuran-3-yl) acetate

(5-methylidene-2-oxofuran-3-yl) acetate (PubChem CID 11062591) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is (5-methylidene-2-oxofuran-3-yl) acetate.

Molecular Properties

Compound Name(5-methylidene-2-oxofuran-3-yl) acetate
PubChem CID11062591
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(5-methylidene-2-oxofuran-3-yl) acetate
SMILESC=C1C=C(OC(C)=O)C(=O)O1
InChIInChI=1S/C7H6O4/c1-4-3-6(7(9)10-4)11-5(2)8/h3H,1H2,2H3
InChIKeyFURKFHDWKORGKO-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylidene-2-oxofuran-3-yl) acetate?
The IUPAC name of (5-methylidene-2-oxofuran-3-yl) acetate (CID 11062591) is (5-methylidene-2-oxofuran-3-yl) acetate.
What is the SMILES notation for (5-methylidene-2-oxofuran-3-yl) acetate?
The canonical SMILES for (5-methylidene-2-oxofuran-3-yl) acetate is C=C1C=C(OC(C)=O)C(=O)O1.
What is the InChIKey of (5-methylidene-2-oxofuran-3-yl) acetate?
The InChIKey is FURKFHDWKORGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4-3-6(7(9)10-4)11-5(2)8/h3H,1H2,2H3.
What are the key properties of (5-methylidene-2-oxofuran-3-yl) acetate?
(5-methylidene-2-oxofuran-3-yl) acetate has a molecular weight of 154.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidene-2-oxofuran-3-yl) acetate is sourced from PubChem (CID 11062591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).