Prop-2-yn-1-yl 1H-imidazole-1-carboxylate

C₇H₆N₂O₂CAS 83395-38-4150.14 g/mol

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Properties

Molecular formula: C₇H₆N₂O₂
Molar mass: 150.14 g/mol
Exact mass: 150.0429 Da
logP: 0.50Crippen estimate
Polar surface area: 44.1 Å²
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

83395-38-4

SMILES

C#CCOC(=O)N1C=CN=C1

InChIKey

LLVCOZOEWQQTAV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2

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Names and synonyms

1 names

1H-Imidazole-1-carboxylicacid,2-propynylester(9ci)

Work with Prop-2-yn-1-yl 1H-imidazole-1-carboxylate

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-(tert-Butoxycarbonyl)imidazole49761-82-248 % similar 1,1'-Oxalyldiimidazole18637-83-743 % similar 1,1′-Carbonyldiimidazole530-62-143 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-439 % similar Thiocarbonyldiimidazole6160-65-239 % similar 1-(Trifluoroacetyl)imidazole1546-79-837 % similar 1H-Imidazol-1-ylphenylmethanone10364-94-035 % similar Propargyl acrylate10477-47-134 % similar

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

Same formula

5-Methylbenzofurazan-1-oxide19164-41-1 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one20348-09-8 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile21642-98-8 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-0 Diazenylbenzoic acid58434-28-9

Elsewhere

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