5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one

C13H17BrN2O3 — CID 56812353

IUPAC5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(C)CN(C(=O)Cn2cc(Br)ccc2=O)CCO1
InChIInChI=1S/C13H17BrN2O3/c1-13(2)9-15(5-6-19-13)12(18)8-16-7-10(14)3-4-11(16)17/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyWFEPQPNHZDBZAD-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.25
Rot. Bonds2

About 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 56812353) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
PubChem CID56812353
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(C)CN(C(=O)Cn2cc(Br)ccc2=O)CCO1
InChIInChI=1S/C13H17BrN2O3/c1-13(2)9-15(5-6-19-13)12(18)8-16-7-10(14)3-4-11(16)17/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyWFEPQPNHZDBZAD-UHFFFAOYSA-N
XLogP1.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 126799067
4-bromo-1-(2-morpholinoethyl)pyridin-2(1H)-one
CID 68734747
5-Bromo-1-(3-morpholinopropyl)pyridin-2(1h)-one
CID 90288810
5-bromo-1-isopropyl-3-morpholinopyridin-2(1H)-one
CID 90408099
5-bromo-1-ethyl-3-morpholinopyridin-2(1H)-one
CID 90408118
5-bromo-1-methyl-3-morpholinopyridin-2(1H)-one
CID 90408938
5-(Methylidene-lambda3-bromanyl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one
CID 163437574
1-Ethyl-5-(methylidene-lambda3-bromanyl)-3-morpholin-4-ylpyridin-2-one
CID 163672722
5-Bromo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 45814907
1-[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47016407
5-Bromo-1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47028082
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47035958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (CID 56812353) is 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is CC1(C)CN(C(=O)Cn2cc(Br)ccc2=O)CCO1.
What is the InChIKey of 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is WFEPQPNHZDBZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-13(2)9-15(5-6-19-13)12(18)8-16-7-10(14)3-4-11(16)17/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 329.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 56812353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).