2,3-ditert-butyl-1,5-dimethylpyridin-4-one

C15H25NO — CID 20871965

IUPAC2,3-ditert-butyl-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H25NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h9H,1-8H3
InChIKeyUNZMHAOMOJCQAZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.29
Rot. Bonds

About 2,3-ditert-butyl-1,5-dimethylpyridin-4-one

2,3-ditert-butyl-1,5-dimethylpyridin-4-one (PubChem CID 20871965) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,5-dimethylpyridin-4-one.

Molecular Properties

Compound Name2,3-ditert-butyl-1,5-dimethylpyridin-4-one
PubChem CID20871965
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,3-ditert-butyl-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H25NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h9H,1-8H3
InChIKeyUNZMHAOMOJCQAZ-UHFFFAOYSA-N
XLogP3.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,5-dimethylpyridin-4-one?
The IUPAC name of 2,3-ditert-butyl-1,5-dimethylpyridin-4-one (CID 20871965) is 2,3-ditert-butyl-1,5-dimethylpyridin-4-one.
What is the SMILES notation for 2,3-ditert-butyl-1,5-dimethylpyridin-4-one?
The canonical SMILES for 2,3-ditert-butyl-1,5-dimethylpyridin-4-one is Cc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 2,3-ditert-butyl-1,5-dimethylpyridin-4-one?
The InChIKey is UNZMHAOMOJCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h9H,1-8H3.
What are the key properties of 2,3-ditert-butyl-1,5-dimethylpyridin-4-one?
2,3-ditert-butyl-1,5-dimethylpyridin-4-one has a molecular weight of 235.37 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,5-dimethylpyridin-4-one is sourced from PubChem (CID 20871965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).