Methyl 4-pyrrolidin-1-ylbenzoate

C₁₂H₁₅NO₂CAS 129414-26-2205.26 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO₂
Molar mass: 205.26 g/mol
Exact mass: 205.1103 Da
logP: 2.07Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

129414-26-2

SMILES

COC(=O)C1=CC=C(C=C1)N2CCCC2

InChIKey

XNIVNLQKURGIAY-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO2/c1-15-12(14)10-4-6-11(7-5-10)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3

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Work with Methyl 4-pyrrolidin-1-ylbenzoate

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

Dimethyl terephthalate120-61-662 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-556 % similar Methyl 4-chlorobenzoate1126-46-156 % similar 4′-Piperidinoacetophenone10342-85-556 % similar Methyl 4-(chloromethyl)benzoate34040-64-756 % similar Methyl 4-(chlorocarbonyl)benzoate7377-26-654 % similar Methyl P-toluate99-75-253 % similar Methyl benzoate93-58-352 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-5 3,4-Diethoxybenzeneacetonitrile27472-21-5 4-Phenyl-4-piperidinecarboxylic acid3627-45-0 4′-Morpholinoacetophenone39910-98-0 Ethyl 3-(phenylamino)-2-butenoate6287-35-0 N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-9

Elsewhere

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