Methyl 1-methylpyrrole-2-carboxylate

C7H9NO2CAS 37619-24-2139.15 g/mol

Open in Covalent MOL file
NOO
Ester

Properties

Molecular formula
C7H9NO2
Molar mass
139.15 g/mol
Exact mass
139.0633 Da
logP
0.81Crippen estimate
Polar surface area
31.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
37619-24-2
SMILES
CN1C=CC=C1C(=O)OC
InChIKey
APHVGKYWHWFAQV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5H,1-2H3

Weigh it out

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Work with Methyl 1-methylpyrrole-2-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-Acetyl-1-methylpyrrole932-16-155 % similar 1-Methyl-1H-pyrrole-2-carbonyl chloride26214-68-653 % similar 1-Methyl-1H-pyrrole-2-carboxylic acid6973-60-053 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-253 % similar Methyl N-methyl-2-pyrrolylacetate51856-79-251 % similar 2-Trichloroacetyl-1-methylpyrrole21898-65-750 % similar Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-149 % similar Dimethyl phthalate131-11-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

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