1,2-Dimethyl-1H-indole-3-carbonitrile

C₁₁H₁₀N₂CAS 51072-84-5170.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀N₂
Molar mass: 170.21 g/mol
Exact mass: 170.0844 Da
logP: 2.36Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

51072-84-5

SMILES

CC1=C(C2=CC=CC=C2N1C)C#N

InChIKey

QWHVKHABWPGMGT-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3

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Work with 1,2-Dimethyl-1H-indole-3-carbonitrile

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-Dimethyl-1H-indole-3-carboxaldehyde38292-40-951 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-751 % similar N-Methylcarbazole1484-12-450 % similar 9,10-Dicyanoanthracene1217-45-443 % similar 4Czipn1416881-52-143 % similar N-Methylacridone719-54-043 % similar 9-Methyl-9H-beta-carboline2521-07-539 % similar N-Methylisatoic anhydride10328-92-438 % similar

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

Same formula

(3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-2 6-Phenyl-3-pyridinamine126370-67-0 5-Phenyl-2-pyridinamine33421-40-8 N-Phenyl-2-pyridinamine6631-37-4 4-(Pyridin-3-yl)aniline82261-42-5

Elsewhere

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