5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one

C12H16FNO2 — CID 162740304

IUPAC5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one
SMILESCCCC(Cc1c[nH]c(=O)c(F)c1)C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-4-10(8(2)15)5-9-6-11(13)12(16)14-7-9/h6-7,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyWMXCTZGFNNYCKY-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.06
Rot. Bonds5

About 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one

5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 162740304) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one
PubChem CID162740304
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one
SMILESCCCC(Cc1c[nH]c(=O)c(F)c1)C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-4-10(8(2)15)5-9-6-11(13)12(16)14-7-9/h6-7,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyWMXCTZGFNNYCKY-UHFFFAOYSA-N
XLogP2.06
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one (CID 162740304) is 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one is CCCC(Cc1c[nH]c(=O)c(F)c1)C(C)=O.
What is the InChIKey of 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is WMXCTZGFNNYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-4-10(8(2)15)5-9-6-11(13)12(16)14-7-9/h6-7,10H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one?
5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 225.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 162740304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).