(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride

C15H22ClNO2 — CID 163323645

IUPAC(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride
SMILESCC(C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11(2)9-15(3)14(17)18-10-13(16-15)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H/t13-,15+;/m1./s1
InChIKeyPXDXRHITAUWESK-PBCQUBLHSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds3

About (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride

(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride (PubChem CID 163323645) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride
PubChem CID163323645
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride
SMILESCC(C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11(2)9-15(3)14(17)18-10-13(16-15)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H/t13-,15+;/m1./s1
InChIKeyPXDXRHITAUWESK-PBCQUBLHSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride?
The IUPAC name of (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride (CID 163323645) is (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride.
What is the SMILES notation for (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride?
The canonical SMILES for (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride is CC(C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O.Cl.
What is the InChIKey of (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride?
The InChIKey is PXDXRHITAUWESK-PBCQUBLHSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-11(2)9-15(3)14(17)18-10-13(16-15)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H/t13-,15+;/m1./s1.
What are the key properties of (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride?
(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride is sourced from PubChem (CID 163323645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).