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

C11H13Cl2NO3 — CID 171185245

IUPAC(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1Cl.Cl
InChIInChI=1S/C11H12ClNO3.ClH/c1-15-10-6-7(2-3-8(10)12)9-4-5-16-11(14)13-9;/h2-3,6,9H,4-5H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyAILJJJVSDAJFLS-SBSPUUFOSA-N
MW278.13 g/mol
LogP2.94
Rot. Bonds2

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

(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185245) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185245
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1Cl.Cl
InChIInChI=1S/C11H12ClNO3.ClH/c1-15-10-6-7(2-3-8(10)12)9-4-5-16-11(14)13-9;/h2-3,6,9H,4-5H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyAILJJJVSDAJFLS-SBSPUUFOSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185245) is (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1cc([C@H]2CCOC(=O)N2)ccc1Cl.Cl.
What is the InChIKey of (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is AILJJJVSDAJFLS-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12ClNO3.ClH/c1-15-10-6-7(2-3-8(10)12)9-4-5-16-11(14)13-9;/h2-3,6,9H,4-5H2,1H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 278.13 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).