2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one

C17H29NO — CID 23552353

IUPAC2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one
SMILESCCCc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C17H29NO/c1-9-10-12-11-18(8)15(17(5,6)7)13(14(12)19)16(2,3)4/h11H,9-10H2,1-8H3
InChIKeyNGNFETNKHMBXND-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.93
Rot. Bonds2

About 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one

2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one (PubChem CID 23552353) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one.

Molecular Properties

Compound Name2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one
PubChem CID23552353
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one
SMILESCCCc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C17H29NO/c1-9-10-12-11-18(8)15(17(5,6)7)13(14(12)19)16(2,3)4/h11H,9-10H2,1-8H3
InChIKeyNGNFETNKHMBXND-UHFFFAOYSA-N
XLogP3.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.93
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-methyl-5-propylpyridin-4-one?
The IUPAC name of 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one (CID 23552353) is 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one.
What is the SMILES notation for 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one?
The canonical SMILES for 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one is CCCc1cn(C)c(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one?
The InChIKey is NGNFETNKHMBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-9-10-12-11-18(8)15(17(5,6)7)13(14(12)19)16(2,3)4/h11H,9-10H2,1-8H3.
What are the key properties of 2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one?
2,3-ditert-butyl-1-methyl-5-propylpyridin-4-one has a molecular weight of 263.42 g/mol, XLogP of 3.93, 2 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-methyl-5-propylpyridin-4-one is sourced from PubChem (CID 23552353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).