(2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one

C₁₀H₁₅NO₂CAS 115956-07-5181.23 g/mol

Open in Covalent MOL file

Alcohol Ketone Tertiary amine

Properties

Molecular formula: C₁₀H₁₅NO₂
Molar mass: 181.23 g/mol
Exact mass: 181.1103 Da
logP: 0.17Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

115956-07-5

SMILES

C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)O

InChIKey

NEDMCWSHHDYQAJ-VGKQMMLZSA-N

InChI

InChI=1S/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9?

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Names and synonyms

1 names

(6R,9aS)-8-Hydroxyhexahydro-2H-2,6-methanoquinolizin-3(4H)-one

Work with (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-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

Same formula

3-(4-Methoxy-phenoxy)-propylamine100841-00-7 3-Azaspiro[5.5]undecane-2,4-dione1130-32-1 N-Phenyldiethanolamine120-07-0 3,4-Dimethoxyphenethylamine120-20-7 2,3-Dimethoxyphenethylamine3213-29-4 2C-H3600-86-0 (±)-Hydroxyephedrine365-26-4 2,5-Diethoxyaniline94-85-9

Elsewhere

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