1-(2,2-dimethylpropyl)-6-methylpyridin-2-one

C11H17NO — CID 169320196

IUPAC1-(2,2-dimethylpropyl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(C)(C)C
InChIInChI=1S/C11H17NO/c1-9-6-5-7-10(13)12(9)8-11(2,3)4/h5-7H,8H2,1-4H3
InChIKeyYLEPYAZOOBDRGU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one

1-(2,2-dimethylpropyl)-6-methylpyridin-2-one (PubChem CID 169320196) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-6-methylpyridin-2-one
PubChem CID169320196
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2,2-dimethylpropyl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(C)(C)C
InChIInChI=1S/C11H17NO/c1-9-6-5-7-10(13)12(9)8-11(2,3)4/h5-7H,8H2,1-4H3
InChIKeyYLEPYAZOOBDRGU-UHFFFAOYSA-N
XLogP2.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one (CID 169320196) is 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one?
The InChIKey is YLEPYAZOOBDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-6-5-7-10(13)12(9)8-11(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one?
1-(2,2-dimethylpropyl)-6-methylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-6-methylpyridin-2-one is sourced from PubChem (CID 169320196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).