3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one

C18H18FNO2 — CID 82519443

IUPAC3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCC(=O)c1ccc(-c2ccc(F)cc2)n(C2CCCC2)c1=O
InChIInChI=1S/C18H18FNO2/c1-12(21)16-10-11-17(13-6-8-14(19)9-7-13)20(18(16)22)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3
InChIKeyHMGGJHLYYHZYOY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.97
Rot. Bonds3

About 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one

3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one (PubChem CID 82519443) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
PubChem CID82519443
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCC(=O)c1ccc(-c2ccc(F)cc2)n(C2CCCC2)c1=O
InChIInChI=1S/C18H18FNO2/c1-12(21)16-10-11-17(13-6-8-14(19)9-7-13)20(18(16)22)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3
InChIKeyHMGGJHLYYHZYOY-UHFFFAOYSA-N
XLogP3.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one (CID 82519443) is 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one is CC(=O)c1ccc(-c2ccc(F)cc2)n(C2CCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one?
The InChIKey is HMGGJHLYYHZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(21)16-10-11-17(13-6-8-14(19)9-7-13)20(18(16)22)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3.
What are the key properties of 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one?
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 82519443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).