1,2,6-trimethyl-3-propan-2-ylpyridin-4-one

C11H17NO — CID 157198255

IUPAC1,2,6-trimethyl-3-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)c(C(C)C)c(C)n1C
InChIInChI=1S/C11H17NO/c1-7(2)11-9(4)12(5)8(3)6-10(11)13/h6-7H,1-5H3
InChIKeyAQMPAIBXKJYWHY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds1

About 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one

1,2,6-trimethyl-3-propan-2-ylpyridin-4-one (PubChem CID 157198255) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name1,2,6-trimethyl-3-propan-2-ylpyridin-4-one
PubChem CID157198255
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2,6-trimethyl-3-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)c(C(C)C)c(C)n1C
InChIInChI=1S/C11H17NO/c1-7(2)11-9(4)12(5)8(3)6-10(11)13/h6-7H,1-5H3
InChIKeyAQMPAIBXKJYWHY-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one?
The IUPAC name of 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one (CID 157198255) is 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one.
What is the SMILES notation for 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one?
The canonical SMILES for 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one is Cc1cc(=O)c(C(C)C)c(C)n1C.
What is the InChIKey of 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one?
The InChIKey is AQMPAIBXKJYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)11-9(4)12(5)8(3)6-10(11)13/h6-7H,1-5H3.
What are the key properties of 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one?
1,2,6-trimethyl-3-propan-2-ylpyridin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-3-propan-2-ylpyridin-4-one is sourced from PubChem (CID 157198255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).