4-Dicyanomethylene-2,6-dimethyl-4H-pyran

C10H8N2OCAS 28286-88-6172.19 g/mol

Open in Covalent MOL file
NNO
AlkeneEtherNitrile

Properties

Molecular formula
C10H8N2O
Molar mass
172.19 g/mol
Exact mass
172.0637 Da
Melting point
198–199 °C
logP
2.17Crippen estimate
Polar surface area
56.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
28286-88-6
SMILES
CC1=CC(=C(C#N)C#N)C=C(C)O1
InChIKey
XYBUCJYJVULPHW-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Propanedinitrile, 2-(2,6-dimethyl-4H-pyran-4-ylidene)-
  • 4H-Pyran-δ4,α-malononitrile, 2,6-dimethyl-
  • Propanedinitrile, (2,6-dimethyl-4H-pyran-4-ylidene)-
  • 2-(2,6-Dimethyl-4H-pyran-4-ylidene)propanedinitrile
  • 2,6-Dimethyl-4H-pyran-δ4,α-malononitrile
  • 2,6-Dimethyl-4-dicyanomethylene-4H-pyran
  • (2,6-Dimethyl-4H-pyran-4-ylidene)propanedinitrile
  • (2,6-Dimethyl-pyran-4-ylidene)propanedinitrile
  • 2-(2,6-Dimethyl-4H-pyran-4-ylidene)malononitrile
  • (2,6-Dimethyl-4H-pyran-4-ylidene)malononitrile
  • 2-(2,6-Dimethylpyran-4-ylidene)propanedinitrile
  • 2-(2,6-Dimethyl-pyran-4-ylidene)-malononitrile
  • 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran

Work with 4-Dicyanomethylene-2,6-dimethyl-4H-pyran

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

4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran51325-91-848 % similar Tetracyanoquinodimethane1518-16-744 % similar 2-[2-Methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile51325-95-242 % similar Isopropylidenemalononitrile13166-10-438 % similar Tetracyanoethylene670-54-235 % similar 2,7-Dimethyloxepine1487-99-633 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-333 % similar 2-[Di(methylthio)methylidene]malononitrile5147-80-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Imidazol-1-yl)benzaldehyde10040-98-9 1H-Imidazol-1-ylphenylmethanone10364-94-0 2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-7 6-Phenyl-3(2H)-pyridazinone2166-31-6 1-(2-Quinoxalinyl)ethanone25594-62-1 3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-5 2-Hydroxy-3-phenylpyrazine2882-18-0 5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-9

Elsewhere

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