chempirical

Methyl N-methyl-2-pyrrolylacetate

C8H11NO2CAS 51856-79-2153.18 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
logP
0.74Crippen estimate
Polar surface area
31.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
51856-79-2
SMILES
COC(=O)Cc1cccn1C
InChIKey
CGYVDYLHQYNGFC-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester
  • Methyl 1-methylpyrrole-2-acetate
  • Methyl 1-methyl-1H-pyrrole-2-acetate
  • Methyl (1-methylpyrrol-2-yl)acetate
  • 1-Methyl-2-pyrroleacetic acid methyl ester
  • Methyl 2-(1-methylpyrrol-2-yl)acetate
  • Methyl (1-methyl-1H-pyrrol-2-yl)acetate
  • Methyl 2-(1-methyl-1H-pyrrol-2-yl)acetate
  • (1-Methyl-1H-pyrrol-2-yl)-acetic acid methyl ester

Work with Methyl N-methyl-2-pyrrolylacetate

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-1H-pyrrole-2-acetic acid21898-59-958 % similar Methyl phenylacetate101-41-751 % similar Methyl (2-thienyl)acetate19432-68-947 % similar Methyl 2-pyridineacetate1658-42-045 % similar Methyl (2-hydroxyphenyl)acetate22446-37-345 % similar Methyl 2-methoxybenzeneacetate27798-60-345 % similar Methyl 2-chlorobenzeneacetate57486-68-745 % similar p-Tolylacetic acid methyl ester23786-13-245 % 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 (αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,4-Dimethoxyaniline2735-04-8 Ethyl 5-methylpyrrole-2-carboxylate3284-51-3 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6

Elsewhere

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