1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one

C11H17NO — CID 89027268

IUPAC1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(CC(C)C)c(=O)n1C
InChIInChI=1S/C11H17NO/c1-8(2)7-10-6-5-9(3)12(4)11(10)13/h5-6,8H,7H2,1-4H3
InChIKeyXVUUHPSDGNCSDM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.89
Rot. Bonds2

About 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one

1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one (PubChem CID 89027268) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one
PubChem CID89027268
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(CC(C)C)c(=O)n1C
InChIInChI=1S/C11H17NO/c1-8(2)7-10-6-5-9(3)12(4)11(10)13/h5-6,8H,7H2,1-4H3
InChIKeyXVUUHPSDGNCSDM-UHFFFAOYSA-N
XLogP1.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 134418673
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
1,6-Dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
CID 163952265
3-Butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 170588482
1-Butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
6-(3,3-Dimethylbutyl)-1,4-dimethylpyridin-2-one
CID 102487011
1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
CID 102590292
6-(2-Cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one
CID 135058426
6-[(E)-dec-5-en-5-yl]-1,4-dimethylpyridin-2-one
CID 176434167
1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one
CID 157368115
4-Fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one
CID 159299868

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one (CID 89027268) is 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one is Cc1ccc(CC(C)C)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is XVUUHPSDGNCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)7-10-6-5-9(3)12(4)11(10)13/h5-6,8H,7H2,1-4H3.
What are the key properties of 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one?
1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 89027268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).