1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one

C27H23NO2 — CID 71469554

IUPAC1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(/C=C/c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C27H23NO2/c29-27-25(17-16-22-10-4-1-5-11-22)26(30-21-24-14-8-3-9-15-24)18-19-28(27)20-23-12-6-2-7-13-23/h1-19H,20-21H2/b17-16+
InChIKeyCIBNRAGAFAFPTH-WUKNDPDISA-N
MW393.49 g/mol
LogP5.65
Rot. Bonds7

About 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one

1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 71469554) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one
PubChem CID71469554
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(/C=C/c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C27H23NO2/c29-27-25(17-16-22-10-4-1-5-11-22)26(30-21-24-14-8-3-9-15-24)18-19-28(27)20-23-12-6-2-7-13-23/h1-19H,20-21H2/b17-16+
InChIKeyCIBNRAGAFAFPTH-WUKNDPDISA-N
XLogP5.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one (CID 71469554) is 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one is O=c1c(/C=C/c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is CIBNRAGAFAFPTH-WUKNDPDISA-N. The full InChI is InChI=1S/C27H23NO2/c29-27-25(17-16-22-10-4-1-5-11-22)26(30-21-24-14-8-3-9-15-24)18-19-28(27)20-23-12-6-2-7-13-23/h1-19H,20-21H2/b17-16+.
What are the key properties of 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one?
1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-phenylethenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71469554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).