3-Benzyl-3-azabicyclo(3.2.1)octan-8-one

C₁₄H₁₇NOCAS 83507-33-9215.30 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₄H₁₇NO
Molar mass: 215.30 g/mol
Exact mass: 215.1310 Da
logP: 2.10Crippen estimate
Polar surface area: 20.3 Å²
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. Search the SDS library

Identifiers

CAS number

83507-33-9

SMILES

C1CC2CN(CC1C2=O)CC3=CC=CC=C3

InChIKey

DCDAOVIVXGHHHU-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

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Names and synonyms

1 names

3-Benzyl-3-azabicyclo[3.2.1]octan-8-one

Work with 3-Benzyl-3-azabicyclo(3.2.1)octan-8-one

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

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one77716-01-974 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-156 % similar N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-056 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-452 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-851 % similar (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-550 % similar N-Benzyl-3-hydroxyazetidine54881-13-950 % similar Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-250 % similar

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

Same formula

8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-4

Elsewhere

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