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

C17H29NO — CID 20871981

IUPAC1-butyl-3,4-ditert-butylpyridin-2-one
SMILESCCCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C17H29NO/c1-8-9-11-18-12-10-13(16(2,3)4)14(15(18)19)17(5,6)7/h10,12H,8-9,11H2,1-7H3
InChIKeyLULHQBUZDUDJMP-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.24
Rot. Bonds3

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

1-butyl-3,4-ditert-butylpyridin-2-one (PubChem CID 20871981) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-butyl-3,4-ditert-butylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-3,4-ditert-butylpyridin-2-one
PubChem CID20871981
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-butyl-3,4-ditert-butylpyridin-2-one
SMILESCCCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C17H29NO/c1-8-9-11-18-12-10-13(16(2,3)4)14(15(18)19)17(5,6)7/h10,12H,8-9,11H2,1-7H3
InChIKeyLULHQBUZDUDJMP-UHFFFAOYSA-N
XLogP4.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-ditert-butylpyridin-2-one?
The IUPAC name of 1-butyl-3,4-ditert-butylpyridin-2-one (CID 20871981) is 1-butyl-3,4-ditert-butylpyridin-2-one.
What is the SMILES notation for 1-butyl-3,4-ditert-butylpyridin-2-one?
The canonical SMILES for 1-butyl-3,4-ditert-butylpyridin-2-one is CCCCn1ccc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 1-butyl-3,4-ditert-butylpyridin-2-one?
The InChIKey is LULHQBUZDUDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-9-11-18-12-10-13(16(2,3)4)14(15(18)19)17(5,6)7/h10,12H,8-9,11H2,1-7H3.
What are the key properties of 1-butyl-3,4-ditert-butylpyridin-2-one?
1-butyl-3,4-ditert-butylpyridin-2-one has a molecular weight of 263.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-ditert-butylpyridin-2-one is sourced from PubChem (CID 20871981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).