4-(2-Oxo-1-pyrrolidinyl)benzaldehyde

C₁₁H₁₁NO₂CAS 36151-45-8189.21 g/mol

Open in Covalent MOL file

Aldehyde Amide Lactam

Properties

Molecular formula: C₁₁H₁₁NO₂
Molar mass: 189.21 g/mol
Exact mass: 189.0790 Da
logP: 1.63Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

36151-45-8

SMILES

O=Cc1ccc(N2CCCC2=O)cc1

InChIKey

VADZUJOCSAESJS-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,8H,1-2,7H2

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 4-(2-oxo-1-pyrrolidinyl)-
4-(2-Oxopyrrolidin-1-yl)benzaldehyde

Work with 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde

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-Phenyl-2-pyrrolidinone4641-57-062 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-251 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-550 % similar Tris(4-formylphenyl)amine119001-43-345 % similar 4-Morpholinobenzaldehyde1204-86-044 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-143 % similar 4-(Diethylamino)benzaldehyde120-21-842 % similar 4-[(2-Chloroethyl)methylamino]benzaldehyde94-31-541 % similar

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

Same formula

β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 N-Isopropylphthalimide304-17-6 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 Ethyl 1H-indole-2-carboxylate3770-50-1 Ethyl α-cyanophenylacetate4553-07-5

Elsewhere

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