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

C17H17NO2 — CID 134870369

IUPAC(3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one
SMILESC[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C17H17NO2/c1-12-17(19)20-16(14-10-6-3-7-11-14)15(18-12)13-8-4-2-5-9-13/h2-12,15-16,18H,1H3/t12-,15-,16+/m1/s1
InChIKeyDXWYZYDLRNICKG-WQVCFCJDSA-N
MW267.33 g/mol
LogP3.00
Rot. Bonds2

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

(3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one (PubChem CID 134870369) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one.

Molecular Properties

Compound Name(3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one
PubChem CID134870369
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one
SMILESC[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C17H17NO2/c1-12-17(19)20-16(14-10-6-3-7-11-14)15(18-12)13-8-4-2-5-9-13/h2-12,15-16,18H,1H3/t12-,15-,16+/m1/s1
InChIKeyDXWYZYDLRNICKG-WQVCFCJDSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one?
The IUPAC name of (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one (CID 134870369) is (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one.
What is the SMILES notation for (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one?
The canonical SMILES for (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one is C[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O.
What is the InChIKey of (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one?
The InChIKey is DXWYZYDLRNICKG-WQVCFCJDSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-17(19)20-16(14-10-6-3-7-11-14)15(18-12)13-8-4-2-5-9-13/h2-12,15-16,18H,1H3/t12-,15-,16+/m1/s1.
What are the key properties of (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one?
(3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-3-methyl-5,6-diphenylmorpholin-2-one is sourced from PubChem (CID 134870369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).