chempirical

3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one

C10H12N2OCAS 55314-16-4176.22 g/mol

Open in Covalent MOL file
NON
AlkeneKetoneTertiary amine

Properties

Molecular formula
C10H12N2O
Molar mass
176.22 g/mol
Exact mass
176.0950 Da
Melting point
above 300 °C
logP
1.34Crippen estimate
Polar surface area
33.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55314-16-4
SMILES
CN(C)C=CC(=O)c1cccnc1
InChIKey
MZLRFUCMBQWLNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-
  • 3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one
  • 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
  • 3-Dimethylamino-1-(pyridin-3-yl)propenone

Work with 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethylnicotinamide59-26-748 % similar 3-Acetylpyridine350-03-847 % similar N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethylacetamide96605-66-245 % similar 1-(3-Pyridyl)propan-1-one1570-48-544 % similar Methyl nicotinate93-60-744 % similar Nicotinic anhydride16837-38-044 % similar Phenyl-3-pyridinylmethanone5424-19-144 % similar Niacin59-67-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenylpyrazolidin-3-one2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-2

Elsewhere

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