5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one

C11H15FN2O — CID 171825408

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(CCN2CC(F)C2)c[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-8-4-9(5-13-11(8)15)2-3-14-6-10(12)7-14/h4-5,10H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyDDOWUHLHYAKMCC-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.88
Rot. Bonds3

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one

5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one (PubChem CID 171825408) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one
PubChem CID171825408
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(CCN2CC(F)C2)c[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-8-4-9(5-13-11(8)15)2-3-14-6-10(12)7-14/h4-5,10H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyDDOWUHLHYAKMCC-UHFFFAOYSA-N
XLogP0.88
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one (CID 171825408) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one is Cc1cc(CCN2CC(F)C2)c[nH]c1=O.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is DDOWUHLHYAKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-4-9(5-13-11(8)15)2-3-14-6-10(12)7-14/h4-5,10H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 210.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 171825408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).