(E)-Ethyl 3-(pyrrolidin-1-yl)acrylate

C₉H₁₅NO₂CAS 65651-80-1169.22 g/mol

Open in Covalent MOL file

Alkene Ester Tertiary amine

Properties

Molecular formula: C₉H₁₅NO₂
Molar mass: 169.22 g/mol
Exact mass: 169.1103 Da
logP: 1.16Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3
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

65651-80-1

SMILES

CCOC(=O)/C=C/N1CCCC1

InChIKey

VFFHLZJSZHWXAJ-VMPITWQZSA-N

InChI

InChI=1S/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3/b8-5+

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Names and synonyms

1 names

Ethyl trans-3-(1-pyrrolidino)acrylate

Work with (E)-Ethyl 3-(pyrrolidin-1-yl)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 (2E)-3-(dimethylamino)-2-propenoate1117-37-963 % similar Diethyl maleate141-05-961 % similar Diethyl fumarate623-91-661 % similar Ethyl trans-crotonate623-70-155 % similar Ethyl 3-ethoxy-2-propenoate1001-26-953 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-953 % similar Ethyl sorbate2396-84-150 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-950 % similar

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

Same formula

N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-4 N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-1 Octahydroindole-2-carboxylic acid80828-13-3 (2S,3AS,7aS)-Octahydroindole-2-carboxylic acid80875-98-5 Aceclidine827-61-2 4-(2-Methylpropyl)piperidine-2,6-dione916982-10-0

Elsewhere

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