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

C14H15NO2 — CID 44825765

IUPAC5-acetyl-1-benzyl-2,3-dihydropyridin-4-one
SMILESCC(=O)C1=CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C14H15NO2/c1-11(16)13-10-15(8-7-14(13)17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyHIYWBHZETDGFQL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.93
Rot. Bonds3

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

5-acetyl-1-benzyl-2,3-dihydropyridin-4-one (PubChem CID 44825765) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-2,3-dihydropyridin-4-one
PubChem CID44825765
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-acetyl-1-benzyl-2,3-dihydropyridin-4-one
SMILESCC(=O)C1=CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C14H15NO2/c1-11(16)13-10-15(8-7-14(13)17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyHIYWBHZETDGFQL-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one?
The IUPAC name of 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one (CID 44825765) is 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one is CC(=O)C1=CN(Cc2ccccc2)CCC1=O.
What is the InChIKey of 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one?
The InChIKey is HIYWBHZETDGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11(16)13-10-15(8-7-14(13)17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one?
5-acetyl-1-benzyl-2,3-dihydropyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 44825765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).