(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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Related Compounds

3-(3,3-dimethylbutyl)-3-methyl-5-phenylmorpholin-2-one
CID 57467828
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
bis((3R,4S)-3-(2-methylpropyl)-4-(4-nitrophenyl)-3-phenyloxolan-2-one);bis((3S,4R)-3-(2-methylpropyl)-4-(4-nitrophenyl)-3-phenyloxolan-2-one)
CID 139092664
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
methyl 3-[(3S,5S)-3-ethyl-2-oxo-5-phenylmorpholin-3-yl]propanoate
CID 11077158
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
4,4-bis(2-methylpropyl)-5-phenylpyrrolidin-2-one
CID 114868876
3-(2-methylpropyl)-4-(2-nitrophenyl)-3-phenyloxolan-2-one
CID 78152635
1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 15687539
4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
CID 79437320
(5R)-3-(4-methylphenyl)-5-phenylmorpholin-2-one
CID 11818002
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894

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).