chempirical

4-(1-Pyrrolidinyl)benzaldehyde

C11H13NOCAS 51980-54-2175.23 g/mol

Open in Covalent MOL file
ON
AldehydeTertiary amine

Properties

Molecular formula
C11H13NO
Molar mass
175.23 g/mol
Exact mass
175.0997 Da
Melting point
84.5–85.5 °C
logP
2.10Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
51980-54-2
SMILES
O=Cc1ccc(N2CCCC2)cc1
InChIKey
DATXHLPRESKQJK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2

Weigh it out

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Names and synonyms

6 names
  • Benzaldehyde, 4-(1-pyrrolidinyl)-
  • Benzaldehyde, p-1-pyrrolidinyl-
  • 4-Pyrrolidinobenzaldehyde
  • p-Pyrrolidinobenzaldehyde
  • 1-(4-Formylphenyl)pyrrolidine
  • 4-(1-Pyrrolidino)benzaldehyde

Work with 4-(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

4-(Piperidin-1-yl)benzaldehyde10338-57-596 % similar 4-Morpholinobenzaldehyde1204-86-069 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-167 % similar 4-(Diethylamino)benzaldehyde120-21-862 % similar Tris(4-formylphenyl)amine119001-43-358 % similar 4-[(2-Chloroethyl)ethylamino]benzaldehyde2643-07-456 % similar 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-851 % similar 4-[(2-Chloroethyl)methylamino]benzaldehyde94-31-550 % similar

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

Same formula

3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-1 Indole-3-propanol3569-21-9 4-Butoxybenzonitrile5203-14-5 1-Benzyl-2-pyrrolidinone5291-77-0 4-(Dimethylamino)cinnamaldehyde6203-18-5 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-6 1-(Phenylmethyl)-3-pyrrolidinone775-16-6

Elsewhere

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