5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one

C11H12BrNO2 — CID 102571053

IUPAC5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one
SMILESO=C1NCC(Cc2ccccc2Br)CO1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)5-8-6-13-11(14)15-7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyCTJXKFMGSFRRCD-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.35
Rot. Bonds2

About 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one

5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one (PubChem CID 102571053) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one
PubChem CID102571053
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one
SMILESO=C1NCC(Cc2ccccc2Br)CO1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)5-8-6-13-11(14)15-7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyCTJXKFMGSFRRCD-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one?
The IUPAC name of 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one (CID 102571053) is 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one is O=C1NCC(Cc2ccccc2Br)CO1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one?
The InChIKey is CTJXKFMGSFRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)5-8-6-13-11(14)15-7-8/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one?
5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 102571053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).