chempirical

2-Propen-1-yl 2-cyanoacetate

C6H7NO2CAS 13361-32-5125.13 g/mol

Open in Covalent MOL file
OON
AlkeneEsterNitrile

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
Boiling point
89–90 °C (at 3.8 Torr)
logP
0.63Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
13361-32-5
SMILES
C=CCOC(=O)CC#N
InChIKey
WXKCRCGKCOKJEF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-cyano-, 2-propen-1-yl ester
  • Acetic acid, cyano-, allyl ester
  • Acetic acid, cyano-, 2-propenyl ester
  • Cyanoacetic acid allyl ester
  • Allyl cyanoacetate
  • Allyl 2-cyanoacetate

Work with 2-Propen-1-yl 2-cyanoacetate

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

1,6-Di-2-propen-1-yl hexanedioate2998-04-155 % similar Ethyl cyanoacetate105-56-653 % similar Allyl propionate2408-20-053 % similar 2-Propen-1-yl 2-chloroacetate2916-14-553 % similar 2-Methoxyethyl cyanoacetate10258-54-550 % similar Propyl cyanoacetate14447-15-550 % similar Allyl butyrate2051-78-750 % similar Allyl phenylacetate1797-74-649 % similar

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

Same formula

2-Cyanoethyl acrylate106-71-8 4-Methoxypyridine N-oxide1122-96-9 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7 Methyl 1-pyrrolecarboxylate4277-63-8

Elsewhere

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