1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone

C11H15NO2 — CID 70466227

IUPAC1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)=C(C)NC1C
InChIInChI=1S/C11H15NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-6,12H,1-4H3
InChIKeyZHTJVFJXNTXXOV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds2

About 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone

1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone (PubChem CID 70466227) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone
PubChem CID70466227
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)=C(C)NC1C
InChIInChI=1S/C11H15NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-6,12H,1-4H3
InChIKeyZHTJVFJXNTXXOV-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone (CID 70466227) is 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone is CC(=O)C1=CC(C(C)=O)=C(C)NC1C.
What is the InChIKey of 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone?
The InChIKey is ZHTJVFJXNTXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-6,12H,1-4H3.
What are the key properties of 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone?
1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,6-dimethyl-1,2-dihydropyridin-3-yl)ethanone is sourced from PubChem (CID 70466227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).