(5Z)-5-ethylidenefuran-2-one

C6H6O2 — CID 12588988

IUPAC(5Z)-5-ethylidenefuran-2-one
SMILESC/C=C1/C=CC(=O)O1
InChIInChI=1S/C6H6O2/c1-2-5-3-4-6(7)8-5/h2-4H,1H3/b5-2-
InChIKeyUBTPQJCPHOHKMF-DJWKRKHSSA-N
MW110.11 g/mol
LogP1.00
Rot. Bonds

About (5Z)-5-ethylidenefuran-2-one

(5Z)-5-ethylidenefuran-2-one (PubChem CID 12588988) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is (5Z)-5-ethylidenefuran-2-one.

Molecular Properties

Compound Name(5Z)-5-ethylidenefuran-2-one
PubChem CID12588988
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name(5Z)-5-ethylidenefuran-2-one
SMILESC/C=C1/C=CC(=O)O1
InChIInChI=1S/C6H6O2/c1-2-5-3-4-6(7)8-5/h2-4H,1H3/b5-2-
InChIKeyUBTPQJCPHOHKMF-DJWKRKHSSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidenefuran-2-one?
The IUPAC name of (5Z)-5-ethylidenefuran-2-one (CID 12588988) is (5Z)-5-ethylidenefuran-2-one.
What is the SMILES notation for (5Z)-5-ethylidenefuran-2-one?
The canonical SMILES for (5Z)-5-ethylidenefuran-2-one is C/C=C1/C=CC(=O)O1.
What is the InChIKey of (5Z)-5-ethylidenefuran-2-one?
The InChIKey is UBTPQJCPHOHKMF-DJWKRKHSSA-N. The full InChI is InChI=1S/C6H6O2/c1-2-5-3-4-6(7)8-5/h2-4H,1H3/b5-2-.
What are the key properties of (5Z)-5-ethylidenefuran-2-one?
(5Z)-5-ethylidenefuran-2-one has a molecular weight of 110.11 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidenefuran-2-one is sourced from PubChem (CID 12588988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).