1,2,6,7-Tetrahydro-8H-indeno-(5,4-B)-furan-8-ylidene acetonitrile

C₁₃H₁₁NOCAS 196597-79-2197.24 g/mol

Open in Covalent MOL file

Alkene Ether Nitrile

Properties

Molecular formula: C₁₃H₁₁NO
Molar mass: 197.24 g/mol
Exact mass: 197.0841 Da
logP: 2.47Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Double bonds: EE/Z, in SMILES order

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

196597-79-2

SMILES

C1C/C(=C\C#N)/C2=C1C=CC3=C2CCO3

InChIKey

TUFWVKLKUFXARX-BJMVGYQFSA-N

InChI

InChI=1S/C13H11NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-5H,1-2,6,8H2/b10-5+

Weigh it out

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

Names and synonyms

1 names

Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-B]furan-8-ylidene)-, (2E)-

Work with 1,2,6,7-Tetrahydro-8H-indeno-(5,4-B)-furan-8-ylidene acetonitrile

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

1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one196597-78-155 % similar 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-233 % similar 4-Ethenyl-2,3-dihydrobenzofuran230642-84-933 % similar 2,3-Dihydro-4-benzofuranethanol199391-76-932 % similar Dihydrobenzofuran496-16-232 % similar 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-630 % similar

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

Same formula

4-Aminobenzophenone1137-41-3 (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-3 2-Aminobenzophenone2835-77-0 3-Aminobenzophenone2835-78-1 4-Phenylbenzamide3815-20-1 (R)-(-)-1-(1-Naphthyl)ethyl isocyanate42340-98-7 Diphenyl ketoxime574-66-3 Diphenylformamide607-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook