3-tert-Butyl-2,4-dimethyl-1H-pyrrole

C₁₀H₁₇NCAS 151464-91-4151.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₇N
Molar mass: 151.25 g/mol
Exact mass: 151.1361 Da
logP: 2.93Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
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

151464-91-4

SMILES

CC1=CNC(=C1C(C)(C)C)C

InChIKey

NVULIPFEBVZBOV-UHFFFAOYSA-N

InChI

InChI=1S/C10H17N/c1-7-6-11-8(2)9(7)10(3,4)5/h6,11H,1-5H3

Weigh it out

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Names and synonyms

1 names

3-tert-Butyl-2,4-dimethylpyrrole

Work with 3-tert-Butyl-2,4-dimethyl-1H-pyrrole

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

2,4-Dimethyl-3-ethylpyrrole517-22-642 % similar 1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone2386-25-638 % similar 5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene5122-20-335 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-133 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-031 % similar 3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-331 % similar 4-(tert-Butyl)-2,6-dimethylaniline42014-60-830 % similar Skatole83-34-130 % similar

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

Same formula

1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-1 Citronellyl nitrile51566-62-2 Amantadine768-94-5 (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-2

Elsewhere

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