1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C13H15F3N2O3 — CID 94022056

IUPAC1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H]1COCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H15F3N2O3/c1-9-8-21-5-4-18(9)12(20)7-17-6-10(13(14,15)16)2-3-11(17)19/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyJEHGASCMVPYRMP-SECBINFHSA-N
MW304.27 g/mol
LogP1.11
Rot. Bonds2

About 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 94022056) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID94022056
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H]1COCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H15F3N2O3/c1-9-8-21-5-4-18(9)12(20)7-17-6-10(13(14,15)16)2-3-11(17)19/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyJEHGASCMVPYRMP-SECBINFHSA-N
XLogP1.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 94022056) is 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is C[C@@H]1COCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JEHGASCMVPYRMP-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-9-8-21-5-4-18(9)12(20)7-17-6-10(13(14,15)16)2-3-11(17)19/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 94022056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).