(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one

C10H10BrNO2 — CID 129411947

IUPAC(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one
SMILESO=C1NC[C@@H](c2cccc(Br)c2)CO1
InChIInChI=1S/C10H10BrNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13)/t8-/m1/s1
InChIKeyQIKGWKRNCCLHLG-MRVPVSSYSA-N
MW256.10 g/mol
LogP2.27
Rot. Bonds1

About (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one

(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one (PubChem CID 129411947) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one
PubChem CID129411947
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one
SMILESO=C1NC[C@@H](c2cccc(Br)c2)CO1
InChIInChI=1S/C10H10BrNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13)/t8-/m1/s1
InChIKeyQIKGWKRNCCLHLG-MRVPVSSYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one (CID 129411947) is (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one is O=C1NC[C@@H](c2cccc(Br)c2)CO1.
What is the InChIKey of (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one?
The InChIKey is QIKGWKRNCCLHLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-9-3-1-2-7(4-9)8-5-12-10(13)14-6-8/h1-4,8H,5-6H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one?
(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 129411947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).