5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one

C20H19NO2 — CID 2751306

IUPAC5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCC(=O)C1=CN(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3
InChIKeyBRXXDFBJQKCILZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.68
Rot. Bonds4

About 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one

5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one (PubChem CID 2751306) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
PubChem CID2751306
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCC(=O)C1=CN(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3
InChIKeyBRXXDFBJQKCILZ-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one (CID 2751306) is 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one is CC(=O)C1=CN(Cc2ccccc2)C(=O)CC1c1ccccc1.
What is the InChIKey of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is BRXXDFBJQKCILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3.
What are the key properties of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 2751306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).