3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one

C15H25NO — CID 171744974

IUPAC3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C15H25NO/c1-9-10(2)16-13(17)12(15(6,7)8)11(9)14(3,4)5/h1-8H3,(H,16,17)
InChIKeyDBOUNLBDOFYLIW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.59
Rot. Bonds

About 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one

3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 171744974) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
PubChem CID171744974
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C15H25NO/c1-9-10(2)16-13(17)12(15(6,7)8)11(9)14(3,4)5/h1-8H3,(H,16,17)
InChIKeyDBOUNLBDOFYLIW-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one (CID 171744974) is 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(C)(C)C)c(C(C)(C)C)c1C.
What is the InChIKey of 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DBOUNLBDOFYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9-10(2)16-13(17)12(15(6,7)8)11(9)14(3,4)5/h1-8H3,(H,16,17).
What are the key properties of 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one?
3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 171744974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).