3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one

C24H21NO2 — CID 134948761

IUPAC3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one
SMILESCOc1ccccc1/C=C/C1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21-14-8-7-13-20(21)24(23(25)26,19-11-4-3-5-12-19)17-16-18-10-6-9-15-22(18)27-2/h3-17H,1-2H3/b17-16+
InChIKeyVYXMGLHSZVXBPJ-WUKNDPDISA-N
MW355.44 g/mol
LogP4.67
Rot. Bonds4

About 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one

3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one (PubChem CID 134948761) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one
PubChem CID134948761
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one
SMILESCOc1ccccc1/C=C/C1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21-14-8-7-13-20(21)24(23(25)26,19-11-4-3-5-12-19)17-16-18-10-6-9-15-22(18)27-2/h3-17H,1-2H3/b17-16+
InChIKeyVYXMGLHSZVXBPJ-WUKNDPDISA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one?
The IUPAC name of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one (CID 134948761) is 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one?
The canonical SMILES for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one is COc1ccccc1/C=C/C1(c2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one?
The InChIKey is VYXMGLHSZVXBPJ-WUKNDPDISA-N. The full InChI is InChI=1S/C24H21NO2/c1-25-21-14-8-7-13-20(21)24(23(25)26,19-11-4-3-5-12-19)17-16-18-10-6-9-15-22(18)27-2/h3-17H,1-2H3/b17-16+.
What are the key properties of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one?
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 134948761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).