5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one

C13H19FN2O — CID 146182798

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C13H19FN2O/c1-10(2)16-7-11(3-4-13(16)17)5-6-15-8-12(14)9-15/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyNLAIPSQUXIEWFU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds4

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one

5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182798) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182798
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C13H19FN2O/c1-10(2)16-7-11(3-4-13(16)17)5-6-15-8-12(14)9-15/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyNLAIPSQUXIEWFU-UHFFFAOYSA-N
XLogP1.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one (CID 146182798) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CCN2CC(F)C2)ccc1=O.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is NLAIPSQUXIEWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(2)16-7-11(3-4-13(16)17)5-6-15-8-12(14)9-15/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).