3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one

C12H18N2O2 — CID 82064800

IUPAC3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(CCN(C)C)c1=O
InChIInChI=1S/C12H18N2O2/c1-9-5-6-11(10(2)15)12(16)14(9)8-7-13(3)4/h5-6H,7-8H2,1-4H3
InChIKeyDNEJYCFODXFXAY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one

3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one (PubChem CID 82064800) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one
PubChem CID82064800
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(CCN(C)C)c1=O
InChIInChI=1S/C12H18N2O2/c1-9-5-6-11(10(2)15)12(16)14(9)8-7-13(3)4/h5-6H,7-8H2,1-4H3
InChIKeyDNEJYCFODXFXAY-UHFFFAOYSA-N
XLogP0.92
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one (CID 82064800) is 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one is CC(=O)c1ccc(C)n(CCN(C)C)c1=O.
What is the InChIKey of 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one?
The InChIKey is DNEJYCFODXFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-6-11(10(2)15)12(16)14(9)8-7-13(3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one?
3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 82064800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).