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

C17H16FNO4 — CID 42227166

IUPAC5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCCC1
InChIInChI=1S/C17H16FNO4/c18-13-5-3-12(4-6-13)10-22-16-11-23-15(9-14(16)20)17(21)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2
InChIKeyMISQZUUAKJHSQM-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.59
Rot. Bonds4

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

5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one (PubChem CID 42227166) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one
PubChem CID42227166
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCCC1
InChIInChI=1S/C17H16FNO4/c18-13-5-3-12(4-6-13)10-22-16-11-23-15(9-14(16)20)17(21)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2
InChIKeyMISQZUUAKJHSQM-UHFFFAOYSA-N
XLogP2.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)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-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one (CID 42227166) is 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one is O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCCC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one?
The InChIKey is MISQZUUAKJHSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-13-5-3-12(4-6-13)10-22-16-11-23-15(9-14(16)20)17(21)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one has a molecular weight of 317.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(pyrrolidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 42227166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).