chempirical

2-Furonitrile

C5H3NOCAS 617-90-393.08 g/mol

Open in Covalent MOL file
NO
Nitrile

Properties

Molecular formula
C5H3NO
Molar mass
93.08 g/mol
Exact mass
93.0215 Da
Density
1.0463 g/mL (at 20 °C)
Melting point
147 °C
Boiling point
147 °C
logP
1.15Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
617-90-3
SMILES
N#Cc1ccco1
InChIKey
YXDXXGXWFJCXEB-UHFFFAOYSA-N
InChI
InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • 2-Furancarbonitrile
  • 2-Cyanofuran
  • 2-Furyl cyanide
  • α-Furyl cyanide
  • 2-Furylcarbonitrile
  • 2-Furfuryl cyanide
  • NSC 35567

Work with 2-Furonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthalonitrile91-15-639 % similar Benzonitrile100-47-038 % similar 9,10-Dicyanoanthracene1217-45-436 % similar 1,4-Dicyanobenzene623-26-735 % similar 2-Methylfuran534-22-535 % similar Isophthalonitrile626-17-535 % similar 2,6-Pyridinedicarbonitrile2893-33-633 % similar 2-Methoxybenzonitrile6609-56-932 % similar

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

Elsewhere

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