1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone

C₁₆H₁₉NOCAS 895152-66-6241.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₉NO
Molar mass: 241.33 g/mol
Exact mass: 241.1467 Da
logP: 4.03Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

895152-66-6

SMILES

CC1(C(C1(C)C)C(=O)C2=CNC3=CC=CC=C32)C

InChIKey

WYZQBEQQQKCTHM-UHFFFAOYSA-N

InChI

InChI=1S/C16H19NO/c1-15(2)14(16(15,3)4)13(18)11-9-17-12-8-6-5-7-10(11)12/h5-9,14,17H,1-4H3

Weigh it out

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

Names and synonyms

1 names

(1H-Indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Work with 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone

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

3-Acetylindole703-80-054 % similar 3-(Trifluoroacetyl)indole14618-45-250 % similar Indole-3-carboxylic acid771-50-650 % similar Bisindolylmaleimide V113963-68-148 % similar Methyl indolyl-3-glyoxylate18372-22-047 % similar Ethyl indole-3-carboxylate776-41-047 % similar Indole-3-(4'-oxo)butyric acid835-45-047 % similar Indole-3-glyoxylic acid1477-49-247 % similar

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

Same formula

2-[Bis(phenylmethyl)amino]ethanol101-06-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook