(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one

C17H17NO2 — CID 54194620

IUPAC(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
SMILESCN1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1
InChIKeyPKXSIWGTXMUTOP-SJORKVTESA-N
MW267.33 g/mol
LogP2.96
Rot. Bonds2

About (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one

(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one (PubChem CID 54194620) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one.

Molecular Properties

Compound Name(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
PubChem CID54194620
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
SMILESCN1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1
InChIKeyPKXSIWGTXMUTOP-SJORKVTESA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one?
The IUPAC name of (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one (CID 54194620) is (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one.
What is the SMILES notation for (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one?
The canonical SMILES for (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one is CN1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one?
The InChIKey is PKXSIWGTXMUTOP-SJORKVTESA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-11,16-17H,12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one?
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one is sourced from PubChem (CID 54194620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).