chempirical

Ethyl 1-cyanocyclopropanecarboxylate

C7H9NO2CAS 1558-81-2139.15 g/mol

Open in Covalent MOL file
OON
EsterNitrile

Properties

Molecular formula
C7H9NO2
Molar mass
139.15 g/mol
Exact mass
139.0633 Da
logP
0.85Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1558-81-2
SMILES
CCOC(=O)C1(CC1)C#N
InChIKey
FDZLCIITHLSEQK-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3

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Work with Ethyl 1-cyanocyclopropanecarboxylate

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-cyano-2-methylpropionate1572-98-163 % similar Ethyl 4-cyano-1-(phenylmethyl)-4-piperidinecarboxylate123730-67-661 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-954 % similar Diethyl 1,1-cyclopropanedicarboxylate1559-02-053 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-450 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-850 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-048 % similar Ethyl pivalate3938-95-248 % similar

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

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 2-Amino-4-methoxyphenol20734-76-3 1-Methyl-1H-pyrrole-2-acetic acid21898-59-9

Elsewhere

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