3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one

C13H19FN2O — CID 68914425

IUPAC3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)N1CCCC1c1cc(F)c[nH]c1=O
InChIInChI=1S/C13H19FN2O/c1-13(2,3)16-6-4-5-11(16)10-7-9(14)8-15-12(10)17/h7-8,11H,4-6H2,1-3H3,(H,15,17)
InChIKeyKWZPIDGMIPBLKQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds1

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one

3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one (PubChem CID 68914425) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
PubChem CID68914425
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)N1CCCC1c1cc(F)c[nH]c1=O
InChIInChI=1S/C13H19FN2O/c1-13(2,3)16-6-4-5-11(16)10-7-9(14)8-15-12(10)17/h7-8,11H,4-6H2,1-3H3,(H,15,17)
InChIKeyKWZPIDGMIPBLKQ-UHFFFAOYSA-N
XLogP2.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one (CID 68914425) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one is CC(C)(C)N1CCCC1c1cc(F)c[nH]c1=O.
What is the InChIKey of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is KWZPIDGMIPBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,3)16-6-4-5-11(16)10-7-9(14)8-15-12(10)17/h7-8,11H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 68914425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).