5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one

C11H13NO4 — CID 91821217

IUPAC5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCCC2)cc1=O
InChIInChI=1S/C11H13NO4/c1-15-10-7-16-9(6-8(10)13)11(14)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyXEOTUSWWGZBUHZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.88
Rot. Bonds2

About 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one

5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one (PubChem CID 91821217) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one
PubChem CID91821217
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCCC2)cc1=O
InChIInChI=1S/C11H13NO4/c1-15-10-7-16-9(6-8(10)13)11(14)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyXEOTUSWWGZBUHZ-UHFFFAOYSA-N
XLogP0.88
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-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 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one (CID 91821217) is 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The InChIKey is XEOTUSWWGZBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10-7-16-9(6-8(10)13)11(14)12-4-2-3-5-12/h6-7H,2-5H2,1H3.
What are the key properties of 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one?
5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one has a molecular weight of 223.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyrrolidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 91821217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).