2-(2,2-dimethylpropyl)-1H-pyridin-4-one

C10H15NO — CID 91244229

IUPAC2-(2,2-dimethylpropyl)-1H-pyridin-4-one
SMILESCC(C)(C)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C10H15NO/c1-10(2,3)7-8-6-9(12)4-5-11-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyJYTYIYWZFGEWMX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.96
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1H-pyridin-4-one

2-(2,2-dimethylpropyl)-1H-pyridin-4-one (PubChem CID 91244229) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1H-pyridin-4-one
PubChem CID91244229
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2,2-dimethylpropyl)-1H-pyridin-4-one
SMILESCC(C)(C)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C10H15NO/c1-10(2,3)7-8-6-9(12)4-5-11-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyJYTYIYWZFGEWMX-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-1H-pyridin-4-one (CID 91244229) is 2-(2,2-dimethylpropyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1H-pyridin-4-one is CC(C)(C)Cc1cc(=O)cc[nH]1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1H-pyridin-4-one?
The InChIKey is JYTYIYWZFGEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)7-8-6-9(12)4-5-11-8/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of 2-(2,2-dimethylpropyl)-1H-pyridin-4-one?
2-(2,2-dimethylpropyl)-1H-pyridin-4-one has a molecular weight of 165.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1H-pyridin-4-one is sourced from PubChem (CID 91244229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).