5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C11H13F3N2O — CID 176905892

IUPAC5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O/c1-16-3-2-7(6-16)8-5-15-10(17)4-9(8)11(12,13)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)
InChIKeyVVWLCRWLJRJJGD-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.81
Rot. Bonds1

About 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176905892) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176905892
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O/c1-16-3-2-7(6-16)8-5-15-10(17)4-9(8)11(12,13)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)
InChIKeyVVWLCRWLJRJJGD-UHFFFAOYSA-N
XLogP1.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 139579857
(3E)-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747591
5-Piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163237734
1-(2,2-Difluoroethyl)-5-(4,4-difluoropiperidin-3-yl)pyridin-2-one
CID 163237763
5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
CID 163237837
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844
5-(4,4-Difluoropiperidin-3-yl)pyridin-2(1H)-one
CID 163237925
5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163237946
5-(4,4-Difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163238045
5-(4,4-Difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163238257

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 176905892) is 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is CN1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VVWLCRWLJRJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16-3-2-7(6-16)8-5-15-10(17)4-9(8)11(12,13)14/h4-5,7H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176905892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).