1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one

C16H27NO — CID 58513899

IUPAC1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
SMILESCC(n1cccc(CC(C)(C)C)c1=O)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(16(5,6)7)17-10-8-9-13(14(17)18)11-15(2,3)4/h8-10,12H,11H2,1-7H3
InChIKeyMTKLZCWJJIDGTQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.04
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one

1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one (PubChem CID 58513899) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
PubChem CID58513899
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
SMILESCC(n1cccc(CC(C)(C)C)c1=O)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(16(5,6)7)17-10-8-9-13(14(17)18)11-15(2,3)4/h8-10,12H,11H2,1-7H3
InChIKeyMTKLZCWJJIDGTQ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
CID 154966362
3-Tert-butyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156357512
3-Tert-butyl-1-(3-fluoro-1-methylpiperidin-4-yl)pyridin-2-one
CID 156357514
6-(3,3-Dimethylbutyl)-1,4-dimethylpyridin-2-one
CID 102487011
1-(3,3-Difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one
CID 157115266
1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one
CID 157368115
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
CID 157368123
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(2-methylpropyl)pyridin-2-one
CID 157616202
1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(2-methylpropyl)pyridin-2-one
CID 157616203
1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(2-methylpropyl)pyridin-2-one
CID 157752936
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(2-methylpropyl)pyridin-2-one
CID 157752937
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(2-methylpropyl)pyridin-2-one
CID 158427368

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one (CID 58513899) is 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one is CC(n1cccc(CC(C)(C)C)c1=O)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one?
The InChIKey is MTKLZCWJJIDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(16(5,6)7)17-10-8-9-13(14(17)18)11-15(2,3)4/h8-10,12H,11H2,1-7H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one?
1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one has a molecular weight of 249.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one is sourced from PubChem (CID 58513899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).