N-Boc-nortropinone

C₁₂H₁₉NO₃CAS 185099-67-6225.29 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₂H₁₉NO₃
Molar mass: 225.29 g/mol
Exact mass: 225.1365 Da
logP: 2.12Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation91.2% of notifiers
H318 Causes serious eye damage11.8% of notifiers
H319 Causes serious eye irritation88.2% of notifiers
H335 May cause respiratory irritation91.2% of notifiers

Aggregated from 34 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

185099-67-6

SMILES

CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2

InChIKey

MENILFUADYEXNU-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

tert-Butyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate

Work with N-Boc-nortropinone

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-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-488 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-876 % similar 9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one280761-97-976 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-868 % similar tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-962 % similar rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-362 % similar N-Boc-exo-3-aminotropane744183-20-862 % similar N-Carbethoxy-4-tropinone32499-64-258 % similar

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

Same formula

cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-1 N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-8 tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-6 Terbutaline23031-25-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook