5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one

C25H23NO2 — CID 21222168

IUPAC5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)NC1C/C=C/c1ccccc1
InChIInChI=1S/C25H23NO2/c27-25-22(18-10-13-19-11-4-1-5-12-19)26-23(20-14-6-2-7-15-20)24(28-25)21-16-8-3-9-17-21/h1-17,22-24,26H,18H2/b13-10+
InChIKeyOTMYAAFNMWTVJM-JLHYYAGUSA-N
MW369.46 g/mol
LogP5.09
Rot. Bonds5

About 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one

5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one (PubChem CID 21222168) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one.

Molecular Properties

Compound Name5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one
PubChem CID21222168
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)NC1C/C=C/c1ccccc1
InChIInChI=1S/C25H23NO2/c27-25-22(18-10-13-19-11-4-1-5-12-19)26-23(20-14-6-2-7-15-20)24(28-25)21-16-8-3-9-17-21/h1-17,22-24,26H,18H2/b13-10+
InChIKeyOTMYAAFNMWTVJM-JLHYYAGUSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one?
The IUPAC name of 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one (CID 21222168) is 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one.
What is the SMILES notation for 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one?
The canonical SMILES for 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one is O=C1OC(c2ccccc2)C(c2ccccc2)NC1C/C=C/c1ccccc1.
What is the InChIKey of 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one?
The InChIKey is OTMYAAFNMWTVJM-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H23NO2/c27-25-22(18-10-13-19-11-4-1-5-12-19)26-23(20-14-6-2-7-15-20)24(28-25)21-16-8-3-9-17-21/h1-17,22-24,26H,18H2/b13-10+.
What are the key properties of 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one?
5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one has a molecular weight of 369.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-[(E)-3-phenylprop-2-enyl]morpholin-2-one is sourced from PubChem (CID 21222168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).