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

C11H13BrClNO2 — CID 171184970

IUPAC(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@H]2CCOC(=O)N2)c(Br)c1.Cl
InChIInChI=1S/C11H12BrNO2.ClH/c1-7-2-3-8(9(12)6-7)10-4-5-15-11(14)13-10;/h2-3,6,10H,4-5H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyZTRJKWPSFGOGOL-HNCPQSOCSA-N
MW306.59 g/mol
LogP3.35
Rot. Bonds1

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

(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184970) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184970
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@H]2CCOC(=O)N2)c(Br)c1.Cl
InChIInChI=1S/C11H12BrNO2.ClH/c1-7-2-3-8(9(12)6-7)10-4-5-15-11(14)13-10;/h2-3,6,10H,4-5H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyZTRJKWPSFGOGOL-HNCPQSOCSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(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-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4R)-4-(4-bromo-2,5-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185345
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184970) is (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride is Cc1ccc([C@H]2CCOC(=O)N2)c(Br)c1.Cl.
What is the InChIKey of (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is ZTRJKWPSFGOGOL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12BrNO2.ClH/c1-7-2-3-8(9(12)6-7)10-4-5-15-11(14)13-10;/h2-3,6,10H,4-5H2,1H3,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 306.59 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).