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

C11H11NO2CAS 36151-45-8189.21 g/mol

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ONO
AldehydeAmideLactam

Properties

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

Hazards

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

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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

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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 1-(4-Bromophenyl)pyrrolidin-2-one7661-32-761 % similar 1-(4-Iodophenyl)piperidin-2-one385425-15-055 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-251 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-550 % similar 1-(4-Nitrophenyl)piperidin-2-one38560-30-449 % similar Tris(4-formylphenyl)amine119001-43-345 % similar 4-Morpholinobenzaldehyde1204-86-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethoxy-1H-indole-3-carbaldehyde169789-47-3 β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1-Methyl-3-indoleacetic acid1912-48-7 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 5-Methylindole-3-carboxylic acid methyl ester227960-12-5 Isopropylphthalimide304-17-6

Elsewhere

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