3,4-ditert-butyl-1-propylpyridin-2-one

C16H27NO — CID 23552366

IUPAC3,4-ditert-butyl-1-propylpyridin-2-one
SMILESCCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H27NO/c1-8-10-17-11-9-12(15(2,3)4)13(14(17)18)16(5,6)7/h9,11H,8,10H2,1-7H3
InChIKeyGRMTYBDEXLNUQY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds2

About 3,4-ditert-butyl-1-propylpyridin-2-one

3,4-ditert-butyl-1-propylpyridin-2-one (PubChem CID 23552366) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-1-propylpyridin-2-one
PubChem CID23552366
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3,4-ditert-butyl-1-propylpyridin-2-one
SMILESCCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H27NO/c1-8-10-17-11-9-12(15(2,3)4)13(14(17)18)16(5,6)7/h9,11H,8,10H2,1-7H3
InChIKeyGRMTYBDEXLNUQY-UHFFFAOYSA-N
XLogP3.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1-propylpyridin-2-one?
The IUPAC name of 3,4-ditert-butyl-1-propylpyridin-2-one (CID 23552366) is 3,4-ditert-butyl-1-propylpyridin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-1-propylpyridin-2-one?
The canonical SMILES for 3,4-ditert-butyl-1-propylpyridin-2-one is CCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 3,4-ditert-butyl-1-propylpyridin-2-one?
The InChIKey is GRMTYBDEXLNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-8-10-17-11-9-12(15(2,3)4)13(14(17)18)16(5,6)7/h9,11H,8,10H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-1-propylpyridin-2-one?
3,4-ditert-butyl-1-propylpyridin-2-one has a molecular weight of 249.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-propylpyridin-2-one is sourced from PubChem (CID 23552366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).