3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C11H11F3N2O2 — CID 60708677

IUPAC3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-3-7(9(17)15-8)10(18)16-5-1-2-6-16/h3-4H,1-2,5-6H2,(H,15,17)
InChIKeyXLKDPIZRWNJZPK-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.63
Rot. Bonds1

About 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 60708677) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID60708677
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-3-7(9(17)15-8)10(18)16-5-1-2-6-16/h3-4H,1-2,5-6H2,(H,15,17)
InChIKeyXLKDPIZRWNJZPK-UHFFFAOYSA-N
XLogP1.63
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 60708677) is 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XLKDPIZRWNJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-3-7(9(17)15-8)10(18)16-5-1-2-6-16/h3-4H,1-2,5-6H2,(H,15,17).
What are the key properties of 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 60708677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).