(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride

C16H18ClNO2 — CID 171187804

IUPAC(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(18)17-14(16)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14H,10H2,1-2H3,(H,17,18);1H/t14-;/m1./s1
InChIKeyBRLRBMSVFRWJKM-PFEQFJNWSA-N
MW291.78 g/mol
LogP4.07
Rot. Bonds1

About (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride

(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187804) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187804
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(18)17-14(16)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14H,10H2,1-2H3,(H,17,18);1H/t14-;/m1./s1
InChIKeyBRLRBMSVFRWJKM-PFEQFJNWSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride (CID 171187804) is (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride is CC1(C)COC(=O)N[C@@H]1c1ccc2ccccc2c1.Cl.
What is the InChIKey of (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is BRLRBMSVFRWJKM-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(18)17-14(16)13-8-7-11-5-3-4-6-12(11)9-13;/h3-9,14H,10H2,1-2H3,(H,17,18);1H/t14-;/m1./s1.
What are the key properties of (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).