7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

C₁₄H₁₇NO₂CAS 77716-01-9231.29 g/mol

Open in Covalent MOL file

Ether Ketone Tertiary amine

Properties

Molecular formula: C₁₄H₁₇NO₂
Molar mass: 231.29 g/mol
Exact mass: 231.1259 Da
logP: 1.33Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
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

77716-01-9

SMILES

C1C2COCC(C2=O)CN1CC3=CC=CC=C3

InChIKey

SLLWALHBEBMXSC-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO2/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

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Names and synonyms

1 names

3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1nonan-9-one

Work with 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-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

3-Benzyl-3-azabicyclo(3.2.1)octan-8-one83507-33-974 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-449 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-149 % similar N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-049 % similar Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-247 % similar (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-546 % similar N-Benzyl-3-hydroxyazetidine54881-13-946 % similar (3S,4S)-1-Benzylpyrrolidine-3,4-diol90365-74-546 % similar

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

Same formula

1-Cbz-4-methylene-piperidine138163-12-9 Coumarin 191-44-1

Elsewhere

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