4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one

C11H14O4 — CID 139586249

IUPAC4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one
SMILESCCCC1OC1c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-3-4-8-11(15-8)9-5-7(13-2)6-10(12)14-9/h5-6,8,11H,3-4H2,1-2H3
InChIKeyFPVKJUGUZIMQFF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.89
Rot. Bonds4

About 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one

4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one (PubChem CID 139586249) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one
PubChem CID139586249
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one
SMILESCCCC1OC1c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-3-4-8-11(15-8)9-5-7(13-2)6-10(12)14-9/h5-6,8,11H,3-4H2,1-2H3
InChIKeyFPVKJUGUZIMQFF-UHFFFAOYSA-N
XLogP1.89
TPSA51.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one?
The IUPAC name of 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one (CID 139586249) is 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one is CCCC1OC1c1cc(OC)cc(=O)o1.
What is the InChIKey of 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one?
The InChIKey is FPVKJUGUZIMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-4-8-11(15-8)9-5-7(13-2)6-10(12)14-9/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one?
4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3-propyloxiran-2-yl)pyran-2-one is sourced from PubChem (CID 139586249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).