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

C12H15BrN2O3 — CID 47134830

IUPAC5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1
InChIInChI=1S/C12H15BrN2O3/c1-9-6-14(4-5-18-9)12(17)8-15-7-10(13)2-3-11(15)16/h2-3,7,9H,4-6,8H2,1H3
InChIKeyAYKUHGVDHDEKLR-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.86
Rot. Bonds2

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

5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 47134830) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
PubChem CID47134830
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1
InChIInChI=1S/C12H15BrN2O3/c1-9-6-14(4-5-18-9)12(17)8-15-7-10(13)2-3-11(15)16/h2-3,7,9H,4-6,8H2,1H3
InChIKeyAYKUHGVDHDEKLR-UHFFFAOYSA-N
XLogP0.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one (CID 47134830) is 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is CC1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1.
What is the InChIKey of 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is AYKUHGVDHDEKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-9-6-14(4-5-18-9)12(17)8-15-7-10(13)2-3-11(15)16/h2-3,7,9H,4-6,8H2,1H3.
What are the key properties of 5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 315.17 g/mol, XLogP of 0.86, 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-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 47134830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).