chempirical

Ethyl 2-acetyl-3-(dimethylamino)acrylate

C9H15NO3CAS 51145-57-4185.22 g/mol

Open in Covalent MOL file
OONO
AlkeneEsterKetoneTertiary amine

Properties

Molecular formula
C9H15NO3
Molar mass
185.22 g/mol
Exact mass
185.1052 Da
logP
0.58Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

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
51145-57-4
SMILES
CCOC(=O)/C(=C/N(C)C)/C(=O)C
InChIKey
LQSOVGAUOHMPLK-SOFGYWHQSA-N
InChI
InChI=1S/C9H15NO3/c1-5-13-9(12)8(7(2)11)6-10(3)4/h6H,5H2,1-4H3/b8-6+

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Names and synonyms

1 names
  • Ethyl 2-((dimethylamino)methylene)acetoacetate

Work with Ethyl 2-acetyl-3-(dimethylamino)acrylate

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

Ethyl 2-(ethoxymethylene)acetoacetate3788-94-161 % similar Ethyl pyruvate617-35-656 % similar Diethyl ethylidenemalonate1462-12-049 % similar Diethyl (ethoxymethylene)malonate87-13-847 % similar Diethyl oxalate95-92-145 % similar Ethyl methacrylate97-63-244 % similar Ethyl N,N-dimethyloxamate16703-52-943 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-442 % similar

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

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-2 tert-Butyl 3-oxocyclobutylcarbamate154748-49-9 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-5 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-1 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-6

Elsewhere

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