3-butoxy-1-butyl-5,6-dimethylpyridin-2-one

C15H25NO2 — CID 67522969

IUPAC3-butoxy-1-butyl-5,6-dimethylpyridin-2-one
SMILESCCCCOc1cc(C)c(C)n(CCCC)c1=O
InChIInChI=1S/C15H25NO2/c1-5-7-9-16-13(4)12(3)11-14(15(16)17)18-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyLAAINRDYRQGHKJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds7

About 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one

3-butoxy-1-butyl-5,6-dimethylpyridin-2-one (PubChem CID 67522969) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-butoxy-1-butyl-5,6-dimethylpyridin-2-one
PubChem CID67522969
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-butoxy-1-butyl-5,6-dimethylpyridin-2-one
SMILESCCCCOc1cc(C)c(C)n(CCCC)c1=O
InChIInChI=1S/C15H25NO2/c1-5-7-9-16-13(4)12(3)11-14(15(16)17)18-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyLAAINRDYRQGHKJ-UHFFFAOYSA-N
XLogP3.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one?
The IUPAC name of 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one (CID 67522969) is 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one?
The canonical SMILES for 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one is CCCCOc1cc(C)c(C)n(CCCC)c1=O.
What is the InChIKey of 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one?
The InChIKey is LAAINRDYRQGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-7-9-16-13(4)12(3)11-14(15(16)17)18-10-8-6-2/h11H,5-10H2,1-4H3.
What are the key properties of 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one?
3-butoxy-1-butyl-5,6-dimethylpyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-butyl-5,6-dimethylpyridin-2-one is sourced from PubChem (CID 67522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).