(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one

C17H23NO2 — CID 102533542

IUPAC(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one
SMILESC[C@H]1NC(C2CCCCC2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12-16(14-10-6-3-7-11-14)20-17(19)15(18-12)13-8-4-2-5-9-13/h3,6-7,10-13,15-16,18H,2,4-5,8-9H2,1H3/t12-,15?,16-/m1/s1
InChIKeyRSWFXBIMJUHUQR-IATLWXBXSA-N
MW273.38 g/mol
LogP3.21
Rot. Bonds2

About (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one

(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one (PubChem CID 102533542) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one.

Molecular Properties

Compound Name(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one
PubChem CID102533542
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one
SMILESC[C@H]1NC(C2CCCCC2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12-16(14-10-6-3-7-11-14)20-17(19)15(18-12)13-8-4-2-5-9-13/h3,6-7,10-13,15-16,18H,2,4-5,8-9H2,1H3/t12-,15?,16-/m1/s1
InChIKeyRSWFXBIMJUHUQR-IATLWXBXSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one?
The IUPAC name of (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one (CID 102533542) is (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one.
What is the SMILES notation for (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one?
The canonical SMILES for (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one is C[C@H]1NC(C2CCCCC2)C(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one?
The InChIKey is RSWFXBIMJUHUQR-IATLWXBXSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-16(14-10-6-3-7-11-14)20-17(19)15(18-12)13-8-4-2-5-9-13/h3,6-7,10-13,15-16,18H,2,4-5,8-9H2,1H3/t12-,15?,16-/m1/s1.
What are the key properties of (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one?
(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one is sourced from PubChem (CID 102533542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).