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

C17H29NO — CID 21060999

IUPAC6-butyl-3,4-ditert-butyl-1H-pyridin-2-one
SMILESCCCCc1cc(C(C)(C)C)c(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C17H29NO/c1-8-9-10-12-11-13(16(2,3)4)14(15(19)18-12)17(5,6)7/h11H,8-10H2,1-7H3,(H,18,19)
InChIKeyOTVJIPYTILBFIP-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.31
Rot. Bonds3

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

6-butyl-3,4-ditert-butyl-1H-pyridin-2-one (PubChem CID 21060999) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3,4-ditert-butyl-1H-pyridin-2-one
PubChem CID21060999
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name6-butyl-3,4-ditert-butyl-1H-pyridin-2-one
SMILESCCCCc1cc(C(C)(C)C)c(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C17H29NO/c1-8-9-10-12-11-13(16(2,3)4)14(15(19)18-12)17(5,6)7/h11H,8-10H2,1-7H3,(H,18,19)
InChIKeyOTVJIPYTILBFIP-UHFFFAOYSA-N
XLogP4.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-Di-tert-butylpyridin-2(1H)-one
CID 342685
6-(2,2-dimethylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 13543684
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
4-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
CID 172096096
6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one
CID 176560704
3,6-dipropyl-1H-pyridin-2-one
CID 12354333
N-[1-(5,5-Dimethyl-3-oxo-cyclohex-1-enyl)-vinyl]-acetamide
CID 34178854
(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one
CID 139265380
4-Methyl-6-octyl-2(1H)-pyridinone
CID 9837395
6-(2,2-dimethylbutyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 13020240

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one (CID 21060999) is 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one is CCCCc1cc(C(C)(C)C)c(C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one?
The InChIKey is OTVJIPYTILBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-9-10-12-11-13(16(2,3)4)14(15(19)18-12)17(5,6)7/h11H,8-10H2,1-7H3,(H,18,19).
What are the key properties of 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one?
6-butyl-3,4-ditert-butyl-1H-pyridin-2-one has a molecular weight of 263.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,4-ditert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 21060999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).