chempirical

2-(1,3-Dioxolan-2-ylidene)propanedinitrile

C6H4N2O2CAS 5694-65-5136.11 g/mol

Open in Covalent MOL file
ONNO
AlkeneEtherNitrile

Properties

Molecular formula
C6H4N2O2
Molar mass
136.11 g/mol
Exact mass
136.0273 Da
logP
0.29Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
5694-65-5
SMILES
C1COC(=C(C#N)C#N)O1
InChIKey
PWPZBDNODBHUSS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O2/c7-3-5(4-8)6-9-1-2-10-6/h1-2H2

Weigh it out

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

Names and synonyms

10 names
  • Dicyanoketene ethylene acetal
  • Dicyanoketeneethyleneacetal
  • 1,3-Dioxolane-delta(sup2),alpha-malononitrile
  • 1,3-Dioxolane-delta(sup 2),alpha-malononitrile
  • 1,3-Dioxolane-delta2,alpha-malononitrile
  • Propanedinitrile, 1,3-dioxol-2-ylidene-
  • 1,.Alpha.-malononitrile
  • 1, 2-Dicyanomethylene-
  • (1,3-Dioxolan-2-ylidene)propanedinitrile
  • 2-([1,3]Dioxolan-2-ylidene)-propanedinitrile

Work with 2-(1,3-Dioxolan-2-ylidene)propanedinitrile

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

2-(1-Ethoxyethylidene)propanedinitrile5417-82-344 % similar Tetracyanoethylene670-54-244 % similar 2-Amino-1-propene-1,1,3-tricarbonitrile868-54-238 % similar Isopropylidenemalononitrile13166-10-435 % similar Tetracyanoquinodimethane1518-16-735 % similar 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane29261-33-432 % similar Ethyl cyanoformate623-49-431 % similar 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-630 % similar

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

Same formula

1,4-Dinitrosobenzene105-12-4 Isoxazolo[5,4-B]pyridin-3-ol16880-54-9 Benzofuroxan480-96-6 Oxazolo[4,5-b]pyridin-2(3H)-one60832-72-6

Elsewhere

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