(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride

C10H11BrClNO2 — CID 171184817

IUPAC(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2Br)CCO1
InChIInChI=1S/C10H10BrNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyUEXHXZZDIUKXGD-SBSPUUFOSA-N
MW292.56 g/mol
LogP3.04
Rot. Bonds1

About (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184817) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184817
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2Br)CCO1
InChIInChI=1S/C10H10BrNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyUEXHXZZDIUKXGD-SBSPUUFOSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184817) is (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccccc2Br)CCO1.
What is the InChIKey of (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is UEXHXZZDIUKXGD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10BrNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 292.56 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).