4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one

C13H19FN2O — CID 146182941

IUPAC4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(CC2(F)CN(C)C2)cc1=O
InChIInChI=1S/C13H19FN2O/c1-10(2)16-5-4-11(6-12(16)17)7-13(14)8-15(3)9-13/h4-6,10H,7-9H2,1-3H3
InChIKeyGKKYQELHQAIWDT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds3

About 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one

4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182941) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182941
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(CC2(F)CN(C)C2)cc1=O
InChIInChI=1S/C13H19FN2O/c1-10(2)16-5-4-11(6-12(16)17)7-13(14)8-15(3)9-13/h4-6,10H,7-9H2,1-3H3
InChIKeyGKKYQELHQAIWDT-UHFFFAOYSA-N
XLogP1.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(Dimethylamino)ethyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 146182753
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789
4-[2-(Dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
CID 146182790
5-[(1-Fluoroazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182791
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182798
1-Ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one
CID 146189687
4-[1-(Azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one
CID 146191540
3-Fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283252
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283287
5-[2-(Azetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283465
5-[2-(Dimethylamino)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283764
5-[2-(5-Azaspiro[2.3]hexan-5-yl)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283778

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one (CID 146182941) is 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one is CC(C)n1ccc(CC2(F)CN(C)C2)cc1=O.
What is the InChIKey of 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is GKKYQELHQAIWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(2)16-5-4-11(6-12(16)17)7-13(14)8-15(3)9-13/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).