1-Methylpyrrole

C5H7NCAS 96-54-881.12 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C5H7N
Molar mass
81.12 g/mol
Exact mass
81.0578 Da
Density
0.9096 g/mL (at 20 °C)
Boiling point
115 °C
Flash point
16 °C
logP
1.03Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,523 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
96-54-8
SMILES
Cn1cccc1
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrrole, 1-methyl-
  • Pyrrole, 1-methyl-
  • 1-Methyl-1H-pyrrole
  • N-Methylpyrrole
  • NSC 65440

Work with 1-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

1-Methylimidazole616-47-735 % similar 1-Ethyl-1H-pyrrole617-92-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclobutanecarbonitrile4426-11-3 3-Methylpyrrole616-43-3 Cyclopropylacetonitrile6542-60-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook