chempirical

Methyl 1-cyanocyclobutanecarboxylate

C7H9NO2CAS 58920-79-9139.15 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
1

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
58920-79-9
SMILES
COC(=O)C1(CCC1)C#N
InChIKey
WCTZTNWBOZFXTE-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-10-6(9)7(5-8)3-2-4-7/h2-4H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 1-cyanocyclobutane-1-carboxylate

Work with Methyl 1-cyanocyclobutanecarboxylate

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-Cyanocyclobutanecarboxylic acid ethyl ester28246-87-964 % similar Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-747 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-247 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-344 % similar 2-Methyl-L-proline methyl ester hydrochloride220060-08-244 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-942 % similar Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride60421-23-041 % similar Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-040 % 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 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

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