(3R,5R)-3-methyl-5-phenylmorpholin-2-one

C11H13NO2 — CID 15042724

IUPAC(3R,5R)-3-methyl-5-phenylmorpholin-2-one
SMILESC[C@H]1N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C11H13NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3/t8-,10+/m1/s1
InChIKeyDJJGNQPYNBPERZ-SCZZXKLOSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds1

About (3R,5R)-3-methyl-5-phenylmorpholin-2-one

(3R,5R)-3-methyl-5-phenylmorpholin-2-one (PubChem CID 15042724) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-phenylmorpholin-2-one.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-phenylmorpholin-2-one
PubChem CID15042724
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R,5R)-3-methyl-5-phenylmorpholin-2-one
SMILESC[C@H]1N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C11H13NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3/t8-,10+/m1/s1
InChIKeyDJJGNQPYNBPERZ-SCZZXKLOSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-(4-methylphenyl)-5-phenylmorpholin-2-one
CID 11818002
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(3R,8Z,11R)-8,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 118867127
(3R,9E,12R)-12-methyl-3-phenyl-1-oxa-4-azacyclotridec-9-ene-5,13-dione
CID 86714846
(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 102169361
(1S,3R,12S)-3-methyl-7-phenyl-5,15-dioxa-8,13-diazabicyclo[10.3.0]pentadecane-4,9,14-trione
CID 118880000
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
CID 118867248
(3S,5S)-3-methyl-3-(2-methylpropyl)-5-phenylmorpholin-2-one;hydrochloride
CID 163323645
bis(4-phenyl-1,3-oxazolidin-2-yl)methanone
CID 174878189
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-phenylmorpholin-2-one?
The IUPAC name of (3R,5R)-3-methyl-5-phenylmorpholin-2-one (CID 15042724) is (3R,5R)-3-methyl-5-phenylmorpholin-2-one.
What is the SMILES notation for (3R,5R)-3-methyl-5-phenylmorpholin-2-one?
The canonical SMILES for (3R,5R)-3-methyl-5-phenylmorpholin-2-one is C[C@H]1N[C@H](c2ccccc2)COC1=O.
What is the InChIKey of (3R,5R)-3-methyl-5-phenylmorpholin-2-one?
The InChIKey is DJJGNQPYNBPERZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-phenylmorpholin-2-one?
(3R,5R)-3-methyl-5-phenylmorpholin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-phenylmorpholin-2-one is sourced from PubChem (CID 15042724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).