chempirical

Methyl 2,5-dimethylpyrrole-3-carboxylate

C8H11NO2CAS 69687-80-5153.18 g/mol

Open in Covalent MOL file
NHOO
Ester

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
logP
1.42Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69687-80-5
SMILES
CC1=CC(=C(N1)C)C(=O)OC
InChIKey
OQWZEJIISPYZPW-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3

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Names and synonyms

1 names
  • Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Work with Methyl 2,5-dimethylpyrrole-3-carboxylate

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

2,5-Dimethylpyrrole-3-carboxylic acid57338-76-854 % similar Tetramethyl pyromellitate635-10-953 % similar Dimethyl phthalate131-11-345 % similar Dimethyl 2,3-naphthalenedicarboxylate13728-34-244 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-444 % similar Trimethyl trimellitate2459-10-143 % similar Methyl 2-methylbenzoate89-71-443 % similar Methyl 2,5-dichlorobenzoate2905-69-343 % similar

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

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Octopamine104-14-3 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (alphaR)-alpha-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,6-Dimethoxyaniline2734-70-5 2,4-Dimethoxyaniline2735-04-8 1-Cyanocyclobutanecarboxylic acid ethyl ester28246-87-9

Elsewhere

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