(2E)-2-(methoxymethylidene)pyran-4-one

C7H8O3 — CID 89353024

IUPAC(2E)-2-(methoxymethylidene)pyran-4-one
SMILESCO/C=C1\CC(=O)C=CO1
InChIInChI=1S/C7H8O3/c1-9-5-7-4-6(8)2-3-10-7/h2-3,5H,4H2,1H3/b7-5+
InChIKeyAIXNKAHAIRPRCY-FNORWQNLSA-N
MW140.14 g/mol
LogP0.98
Rot. Bonds1

About (2E)-2-(methoxymethylidene)pyran-4-one

(2E)-2-(methoxymethylidene)pyran-4-one (PubChem CID 89353024) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2E)-2-(methoxymethylidene)pyran-4-one.

Molecular Properties

Compound Name(2E)-2-(methoxymethylidene)pyran-4-one
PubChem CID89353024
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(2E)-2-(methoxymethylidene)pyran-4-one
SMILESCO/C=C1\CC(=O)C=CO1
InChIInChI=1S/C7H8O3/c1-9-5-7-4-6(8)2-3-10-7/h2-3,5H,4H2,1H3/b7-5+
InChIKeyAIXNKAHAIRPRCY-FNORWQNLSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methoxymethylidene)pyran-4-one?
The IUPAC name of (2E)-2-(methoxymethylidene)pyran-4-one (CID 89353024) is (2E)-2-(methoxymethylidene)pyran-4-one.
What is the SMILES notation for (2E)-2-(methoxymethylidene)pyran-4-one?
The canonical SMILES for (2E)-2-(methoxymethylidene)pyran-4-one is CO/C=C1\CC(=O)C=CO1.
What is the InChIKey of (2E)-2-(methoxymethylidene)pyran-4-one?
The InChIKey is AIXNKAHAIRPRCY-FNORWQNLSA-N. The full InChI is InChI=1S/C7H8O3/c1-9-5-7-4-6(8)2-3-10-7/h2-3,5H,4H2,1H3/b7-5+.
What are the key properties of (2E)-2-(methoxymethylidene)pyran-4-one?
(2E)-2-(methoxymethylidene)pyran-4-one has a molecular weight of 140.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methoxymethylidene)pyran-4-one is sourced from PubChem (CID 89353024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).