1-benzyl-4-hexylpyridin-2-one

C18H23NO — CID 121493777

IUPAC1-benzyl-4-hexylpyridin-2-one
SMILESCCCCCCc1ccn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C18H23NO/c1-2-3-4-6-9-16-12-13-19(18(20)14-16)15-17-10-7-5-8-11-17/h5,7-8,10-14H,2-4,6,9,15H2,1H3
InChIKeyJRYCAFGYFOWXTF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds7

About 1-benzyl-4-hexylpyridin-2-one

1-benzyl-4-hexylpyridin-2-one (PubChem CID 121493777) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-benzyl-4-hexylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hexylpyridin-2-one
PubChem CID121493777
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-benzyl-4-hexylpyridin-2-one
SMILESCCCCCCc1ccn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C18H23NO/c1-2-3-4-6-9-16-12-13-19(18(20)14-16)15-17-10-7-5-8-11-17/h5,7-8,10-14H,2-4,6,9,15H2,1H3
InChIKeyJRYCAFGYFOWXTF-UHFFFAOYSA-N
XLogP4.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-hexylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hexylpyridin-2-one?
The IUPAC name of 1-benzyl-4-hexylpyridin-2-one (CID 121493777) is 1-benzyl-4-hexylpyridin-2-one.
What is the SMILES notation for 1-benzyl-4-hexylpyridin-2-one?
The canonical SMILES for 1-benzyl-4-hexylpyridin-2-one is CCCCCCc1ccn(Cc2ccccc2)c(=O)c1.
What is the InChIKey of 1-benzyl-4-hexylpyridin-2-one?
The InChIKey is JRYCAFGYFOWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-4-6-9-16-12-13-19(18(20)14-16)15-17-10-7-5-8-11-17/h5,7-8,10-14H,2-4,6,9,15H2,1H3.
What are the key properties of 1-benzyl-4-hexylpyridin-2-one?
1-benzyl-4-hexylpyridin-2-one has a molecular weight of 269.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hexylpyridin-2-one is sourced from PubChem (CID 121493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).