2,2-dimethyl-1-pyridin-2-ylpropan-1-one

C10H13NO — CID 556341

IUPAC2,2-dimethyl-1-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccn1
InChIInChI=1S/C10H13NO/c1-10(2,3)9(12)8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyLTHFMKSCCBAWAT-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.31
Rot. Bonds1

About 2,2-dimethyl-1-pyridin-2-ylpropan-1-one

2,2-dimethyl-1-pyridin-2-ylpropan-1-one (PubChem CID 556341) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyridin-2-ylpropan-1-one
PubChem CID556341
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,2-dimethyl-1-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccn1
InChIInChI=1S/C10H13NO/c1-10(2,3)9(12)8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyLTHFMKSCCBAWAT-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-pyridin-2-ylpropan-1-one (CID 556341) is 2,2-dimethyl-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-pyridin-2-ylpropan-1-one is CC(C)(C)C(=O)c1ccccn1.
What is the InChIKey of 2,2-dimethyl-1-pyridin-2-ylpropan-1-one?
The InChIKey is LTHFMKSCCBAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2,3)9(12)8-6-4-5-7-11-8/h4-7H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyridin-2-ylpropan-1-one?
2,2-dimethyl-1-pyridin-2-ylpropan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 556341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).