chempirical

2,4-Dimethylpyrrole

C6H9NCAS 625-82-195.14 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C6H9N
Molar mass
95.14 g/mol
Exact mass
95.0735 Da
Density
0.9236 g/mL (at 420 °C)
Melting point
175 °C
Boiling point
168 °C
logP
1.63Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
625-82-1
SMILES
Cc1c[nH]c(C)c1
InChIKey
MFFMQGGZCLEMCI-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrrole, 2,4-dimethyl-
  • Pyrrole, 2,4-dimethyl-
  • 2,4-Dimethyl-1H-pyrrole
  • NSC 81347
  • 2,4-Dimethyl-1-pyrrole
  • 2,4-Dimethyl-3H-pyrrole

Reactions

Work with 2,4-Dimethylpyrrole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-methylpyridine1603-41-442 % similar 4-Amino-2-methylpyridine18437-58-641 % similar 3-Methylpyrrole616-43-339 % similar Mesitylene108-67-837 % similar 2-Amino-4-methylpyridine695-34-135 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-634 % similar 2,5-Dimethylindole1196-79-833 % similar 5-Methylindole614-96-031 % similar

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

Same formula

Cyclopentanecarbonitrile4254-02-8 2,2-Dimethylcyclopropanecarbonitrile5722-11-2 1-Ethyl-1H-pyrrole617-92-5 2,5-Dimethylpyrrole625-84-3

Elsewhere

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