3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C11H11F3N2O3 — CID 60708511

IUPAC3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(17)15-8)10(18)16-3-5-19-6-4-16/h1-2H,3-6H2,(H,15,17)
InChIKeyWROXWKPCTQXPQR-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.87
Rot. Bonds1

About 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 60708511) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID60708511
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(17)15-8)10(18)16-3-5-19-6-4-16/h1-2H,3-6H2,(H,15,17)
InChIKeyWROXWKPCTQXPQR-UHFFFAOYSA-N
XLogP0.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 60708511) is 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WROXWKPCTQXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-2-1-7(9(17)15-8)10(18)16-3-5-19-6-4-16/h1-2H,3-6H2,(H,15,17).
What are the key properties of 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 276.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 60708511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).