chempirical

2,3,4,5-Tetramethylpyrrole

C8H13NCAS 1003-90-3123.20 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C8H13N
Molar mass
123.20 g/mol
Exact mass
123.1048 Da
logP
2.25Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
1003-90-3
SMILES
CC1=C(NC(=C1C)C)C
InChIKey
BDXJANJAHYKTMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h9H,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • 2,3,4,5-Tetramethyl-1H-pyrrole
  • Pyrrole, 2,3,4,5-tetramethyl-
  • 1H-Pyrrole, 2,3,4,5-tetramethyl-
  • Tetramethylpyrrol
  • Tetramethylpyrrole
  • Tetramethyl pyrrole
  • Tetramethyl-pyrrole
  • 2,3,4,5-Tetramethyl-pyrrole
  • 2,3,4,5-Tetramethyl-1H-pyrrol

Work with 2,3,4,5-Tetramethylpyrrole

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

2,3-Dimethylindole91-55-442 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-938 % similar Hexamethylbenzene87-85-438 % similar 2-Amino-3-cyano-4,5-dimethylpyrrole21392-51-837 % similar Clopidol2971-90-635 % similar 3-Amino-5,6-dimethyl-1,2,4-triazine17584-12-232 % similar 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-631 % similar

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

Same formula

3,4-Diethylpyrrole16200-52-5 2,4-Dimethyl-3-ethylpyrrole517-22-6

Elsewhere

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