1-Methyl-1H-pyrrole-2-carboxaldehyde

C6H7NOCAS 1192-58-1109.13 g/mol

Open in Covalent MOL file
NO
Aldehyde

Properties

Molecular formula
C6H7NO
Molar mass
109.13 g/mol
Exact mass
109.0528 Da
Density
1.012–1.018 g/mL
Boiling point
75.6 °C (at NaN Torr)
logP
0.84Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 134 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1192-58-1
SMILES
Cn1cccc1C=O
InChIKey
OUKQTRFCDKSEPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 1H-Pyrrole-2-carboxaldehyde, 1-methyl-
  • Pyrrole-2-carboxaldehyde, 1-methyl-
  • 1-Methyl-2-formylpyrrole
  • N-Methyl-2-formylpyrrole
  • N-Methylpyrrole-2-carboxaldehyde
  • 2-Formyl-1-methylpyrrole
  • 1-Methylpyrrole-2-carboxaldehyde
  • N-Methyl-2-pyrrolylcarboxaldehyde
  • N-Methyl-2-pyrrolaldehyde
  • N-Methylpyrrole-2-carbaldehyde
  • 2-Formyl-N-methylpyrrole
  • NSC 72386
  • N-Methyl-2-pyrrolecarboxaldehyde
  • 1-Methyl-1H-pyrrole-2-carbaldehyde
  • 1-Methylpyrrole-2-carbaldehyde

Work with 1-Methyl-1H-pyrrole-2-carboxaldehyde

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

1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-147 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-047 % similar 1-Methyl-2-imidazolecarboxaldehyde13750-81-742 % similar 1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-942 % similar 1-Methyl-2(1H)-pyridinone694-85-941 % similar 1-Methylindole-3-carboxaldehyde19012-03-441 % similar 2-Acetyl-1-methylpyrrole932-16-141 % similar 1-[4-(Trifluoromethyl)phenyl]-1H-pyrrole-2-carbaldehyde156496-70-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxy-3-methylpyridine1003-56-1 4-Methylpyridine N-oxide1003-67-4 2-Hydroxy-5-methylpyridine1003-68-5 3-Methylpyridine N-oxide1003-73-2 3-Pyridinemethanol100-55-0 Phenylhydroxylamine100-65-2 3-Acetylpyrrole1072-82-8 2-Acetylpyrrole1072-83-9

Elsewhere

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