5-benzyl-1-phenylpyridin-2-one;ethane

C24H33NO — CID 90848479

IUPAC5-benzyl-1-phenylpyridin-2-one;ethane
SMILESCC.CC.CC.O=c1ccc(Cc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H15NO.3C2H6/c20-18-12-11-16(13-15-7-3-1-4-8-15)14-19(18)17-9-5-2-6-10-17;3*1-2/h1-12,14H,13H2;3*1-2H3
InChIKeyDULUZDFHUFALJE-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.51
Rot. Bonds3

About 5-benzyl-1-phenylpyridin-2-one;ethane

5-benzyl-1-phenylpyridin-2-one;ethane (PubChem CID 90848479) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 5-benzyl-1-phenylpyridin-2-one;ethane.

Molecular Properties

Compound Name5-benzyl-1-phenylpyridin-2-one;ethane
PubChem CID90848479
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name5-benzyl-1-phenylpyridin-2-one;ethane
SMILESCC.CC.CC.O=c1ccc(Cc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H15NO.3C2H6/c20-18-12-11-16(13-15-7-3-1-4-8-15)14-19(18)17-9-5-2-6-10-17;3*1-2/h1-12,14H,13H2;3*1-2H3
InChIKeyDULUZDFHUFALJE-UHFFFAOYSA-N
XLogP6.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-phenylpyridin-2-one;ethane?
The IUPAC name of 5-benzyl-1-phenylpyridin-2-one;ethane (CID 90848479) is 5-benzyl-1-phenylpyridin-2-one;ethane.
What is the SMILES notation for 5-benzyl-1-phenylpyridin-2-one;ethane?
The canonical SMILES for 5-benzyl-1-phenylpyridin-2-one;ethane is CC.CC.CC.O=c1ccc(Cc2ccccc2)cn1-c1ccccc1.
What is the InChIKey of 5-benzyl-1-phenylpyridin-2-one;ethane?
The InChIKey is DULUZDFHUFALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.3C2H6/c20-18-12-11-16(13-15-7-3-1-4-8-15)14-19(18)17-9-5-2-6-10-17;3*1-2/h1-12,14H,13H2;3*1-2H3.
What are the key properties of 5-benzyl-1-phenylpyridin-2-one;ethane?
5-benzyl-1-phenylpyridin-2-one;ethane has a molecular weight of 351.53 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-phenylpyridin-2-one;ethane is sourced from PubChem (CID 90848479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).