6-(4-bromophenyl)-6-methylmorpholin-3-one

C11H12BrNO2 — CID 117159225

IUPAC6-(4-bromophenyl)-6-methylmorpholin-3-one
SMILESCC1(c2ccc(Br)cc2)CNC(=O)CO1
InChIInChI=1S/C11H12BrNO2/c1-11(7-13-10(14)6-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyPRWWWHNMRXARRR-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.81
Rot. Bonds1

About 6-(4-bromophenyl)-6-methylmorpholin-3-one

6-(4-bromophenyl)-6-methylmorpholin-3-one (PubChem CID 117159225) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-(4-bromophenyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-6-methylmorpholin-3-one
PubChem CID117159225
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name6-(4-bromophenyl)-6-methylmorpholin-3-one
SMILESCC1(c2ccc(Br)cc2)CNC(=O)CO1
InChIInChI=1S/C11H12BrNO2/c1-11(7-13-10(14)6-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyPRWWWHNMRXARRR-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-6-(3-methylphenyl)morpholin-3-one
CID 117159206
6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one
CID 117159151
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
CID 92968507
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
(6S)-6-ethyl-6-methylmorpholin-3-one
CID 162867186
2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
2-(4-bromophenyl)-2-methyl-1,3-oxathiolane
CID 548298
4-(4-bromophenyl)-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 67492225
5-(4-bromophenyl)-3-(2-iodoanilino)-5-methyloxolan-2-one
CID 10140168
(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141332929
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
CID 117159172

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-6-methylmorpholin-3-one?
The IUPAC name of 6-(4-bromophenyl)-6-methylmorpholin-3-one (CID 117159225) is 6-(4-bromophenyl)-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-6-methylmorpholin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-6-methylmorpholin-3-one is CC1(c2ccc(Br)cc2)CNC(=O)CO1.
What is the InChIKey of 6-(4-bromophenyl)-6-methylmorpholin-3-one?
The InChIKey is PRWWWHNMRXARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(7-13-10(14)6-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 6-(4-bromophenyl)-6-methylmorpholin-3-one?
6-(4-bromophenyl)-6-methylmorpholin-3-one has a molecular weight of 270.13 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 117159225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).