1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone

C9H11NO2 — CID 14398957

IUPAC1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CNC=C(C(C)=O)C1
InChIInChI=1S/C9H11NO2/c1-6(11)8-3-9(7(2)12)5-10-4-8/h4-5,10H,3H2,1-2H3
InChIKeyVWUDVXZMXZWSKE-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.93
Rot. Bonds2

About 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone

1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone (PubChem CID 14398957) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone
PubChem CID14398957
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CNC=C(C(C)=O)C1
InChIInChI=1S/C9H11NO2/c1-6(11)8-3-9(7(2)12)5-10-4-8/h4-5,10H,3H2,1-2H3
InChIKeyVWUDVXZMXZWSKE-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylaminomethylenecyclohexanone
CID 76175077
4-(Dimethyl-aminomethylene)-cyclohexane-1,3-dione
CID 129761251
3,5-Diacetyl-1,4-dihydropyridine monohydrate
CID 129781269
4-Methyl-2-(methylaminomethylene)cyclohexanone
CID 129804570
3,5-Di-propargylcarbonyl-1,4-dihydropyridine
CID 129875414
4-Hydroxy-3-pyridyl-1-butanone
CID 146171330
2-[1-Ethylamino-meth-(Z)-ylidene]-cyclohexanone
CID 2751410
2-[1-Methylamino-meth-(Z)-ylidene]-cyclohexanone
CID 55206953
3,5-diethyl-1H-pyridin-4-one
CID 19019567
1-(5-acetyl-1-methyl-4H-pyridin-3-yl)ethanone
CID 21766112
3-Butylpyridin-4-ol
CID 53995115
3-ethyl-5-methyl-1H-pyridin-4-one
CID 58938685

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone (CID 14398957) is 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone is CC(=O)C1=CNC=C(C(C)=O)C1.
What is the InChIKey of 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone?
The InChIKey is VWUDVXZMXZWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(11)8-3-9(7(2)12)5-10-4-8/h4-5,10H,3H2,1-2H3.
What are the key properties of 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone?
1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,4-dihydropyridin-3-yl)ethanone is sourced from PubChem (CID 14398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).