6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one

C11H12BrNO2 — CID 83903277

IUPAC6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C11H12BrNO2/c1-13-7-6-10(15-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyWLYLKGGMPQVTSV-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.96
Rot. Bonds1

About 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one

6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 83903277) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID83903277
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C11H12BrNO2/c1-13-7-6-10(15-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyWLYLKGGMPQVTSV-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one (CID 83903277) is 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one is CN1CCC(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is WLYLKGGMPQVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-13-7-6-10(15-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one?
6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 83903277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).