1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one

C11H15NO — CID 11030369

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)C)c(C)n1
InChIInChI=1S/C11H15NO/c1-7(2)11(13)10-6-5-8(3)12-9(10)4/h5-7H,1-4H3
InChIKeySYMCLUIVATYZMR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one

1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one (PubChem CID 11030369) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
PubChem CID11030369
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)C)c(C)n1
InChIInChI=1S/C11H15NO/c1-7(2)11(13)10-6-5-8(3)12-9(10)4/h5-7H,1-4H3
InChIKeySYMCLUIVATYZMR-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one (CID 11030369) is 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one is Cc1ccc(C(=O)C(C)C)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one?
The InChIKey is SYMCLUIVATYZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)11(13)10-6-5-8(3)12-9(10)4/h5-7H,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one?
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 11030369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).