1-Benzyl-pyrrolidine-3-carboxylic acid amide

C₁₂H₁₆N₂OCAS 115687-29-1204.27 g/mol

Open in Covalent MOL file

Amide Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O
Molar mass: 204.27 g/mol
Exact mass: 204.1263 Da
logP: 0.99Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

115687-29-1

SMILES

C1CN(CC1C(=O)N)CC2=CC=CC=C2

InChIKey

HNAGHMKIPMKKBB-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)

Weigh it out

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Names and synonyms

1 names

1-Benzylpyrrolidine-3-carboxamide

Work with 1-Benzyl-pyrrolidine-3-carboxylic acid amide

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

N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-065 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-460 % similar Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-258 % similar 3-Benzyl-3-azabicyclo(3.2.1)octan-8-one83507-33-956 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-856 % similar (1-Benzylpyrrolidin-3-yl)methanamine93138-61-555 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-754 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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