chempirical

Ethyl (2E)-3-(dimethylamino)-2-propenoate

C7H13NO2CAS 1117-37-9143.19 g/mol

Open in Covalent MOL file
OON
AlkeneEsterTertiary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.62Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1117-37-9
SMILES
CCOC(=O)/C=C/N(C)C
InChIKey
MVUMJYQUKKUOHO-AATRIKPKSA-N
InChI
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-
  • Acrylic acid, 3-(dimethylamino)-, ethyl ester, (E)-
  • 2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (E)-
  • Ethyl (E)-3-(dimethylamino)prop-2-enoate
  • Ethyl (2E)-3-(dimethylamino)acrylate
  • Ethyl (2E)-3-(dimethylamino)prop-2-enoate
  • (E)-Ethyl 3-(dimethylamino)acrylate

Work with Ethyl (2E)-3-(dimethylamino)-2-propenoate

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

Diethyl maleate141-05-965 % similar Diethyl fumarate623-91-665 % similar Ethyl trans-crotonate623-70-159 % similar Ethyl 3-ethoxy-2-propenoate1001-26-957 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-957 % similar Ethyl sorbate2396-84-153 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-953 % similar Monoethyl fumarate2459-05-452 % similar

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

Same formula

Isopropyl β-aminocrotonate14205-46-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 Dimethylaminoethyl acrylate2439-35-2 (αS)-α-Aminocyclopentaneacetic acid2521-84-8 (αR)-α-Aminocyclopentaneacetic acid2521-86-0

Elsewhere

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