5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one

C11H14N2O2 — CID 3735062

IUPAC5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one
SMILESCC(=O)c1ccc(=O)[nH]c1C=CN(C)C
InChIInChI=1S/C11H14N2O2/c1-8(14)9-4-5-11(15)12-10(9)6-7-13(2)3/h4-7H,1-3H3,(H,12,15)
InChIKeyFLJCJGRJHJFVGA-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.11
Rot. Bonds3

About 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one

5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one (PubChem CID 3735062) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one
PubChem CID3735062
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one
SMILESCC(=O)c1ccc(=O)[nH]c1C=CN(C)C
InChIInChI=1S/C11H14N2O2/c1-8(14)9-4-5-11(15)12-10(9)6-7-13(2)3/h4-7H,1-3H3,(H,12,15)
InChIKeyFLJCJGRJHJFVGA-UHFFFAOYSA-N
XLogP1.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
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CID 144033406
6-(4-oxo-1H-pyridin-3-yl)-1H-pyridin-2-one
CID 15019809
5-acetyl-6-[2-(dimethylamino)vinyl]-2(1H)-pyridinone
CID 5908143
2(1H)-Pyridinone, 5-acetyl-3-amino-6-methyl-
CID 10012268
2(1H)-Pyridinone, 5-acetyl-6-ethyl-
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CID 13232041

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one (CID 3735062) is 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one is CC(=O)c1ccc(=O)[nH]c1C=CN(C)C.
What is the InChIKey of 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one?
The InChIKey is FLJCJGRJHJFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)9-4-5-11(15)12-10(9)6-7-13(2)3/h4-7H,1-3H3,(H,12,15).
What are the key properties of 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one?
5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-[2-(dimethylamino)ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 3735062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).