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

C12H17FN2O — CID 171826288

IUPAC3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESCCc1cc(CCN2CC(F)C2)c[nH]c1=O
InChIInChI=1S/C12H17FN2O/c1-2-10-5-9(6-14-12(10)16)3-4-15-7-11(13)8-15/h5-6,11H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyHMIUYFBJZCRJOL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.13
Rot. Bonds4

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

3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one (PubChem CID 171826288) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
PubChem CID171826288
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESCCc1cc(CCN2CC(F)C2)c[nH]c1=O
InChIInChI=1S/C12H17FN2O/c1-2-10-5-9(6-14-12(10)16)3-4-15-7-11(13)8-15/h5-6,11H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyHMIUYFBJZCRJOL-UHFFFAOYSA-N
XLogP1.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one (CID 171826288) is 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one is CCc1cc(CCN2CC(F)C2)c[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The InChIKey is HMIUYFBJZCRJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-10-5-9(6-14-12(10)16)3-4-15-7-11(13)8-15/h5-6,11H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 171826288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).