chempirical

3-Methylpyrrole

C5H7NCAS 616-43-381.12 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C5H7N
Molar mass
81.12 g/mol
Exact mass
81.0578 Da
Melting point
−48.4 °C
Boiling point
143 °C
logP
1.32Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
616-43-3
SMILES
Cc1cc[nH]c1
InChIKey
FEKWWZCCJDUWLY-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrrole, 3-methyl-
  • Pyrrole, 3-methyl-
  • 3-Methyl-1H-pyrrole

Work with 3-Methylpyrrole

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

3-Methyl-4-pyridinamine1990-90-544 % similar P-Xylene106-42-341 % similar 2-Amino-5-methylpyridine1603-41-440 % similar 2-Amino-4-methylpyridine695-34-138 % similar 3-Acetylpyrrole1072-82-837 % similar Toluene108-88-337 % similar Pyrrole-3-carboxaldehyde7126-39-836 % similar M-Xylene108-38-333 % similar

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

Same formula

Cyclobutanecarbonitrile4426-11-3 1-Methylpyrrole96-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook