N-1-Boc-amino-3-cyclopentene

C₁₀H₁₇NO₂CAS 193751-54-1183.25 g/mol

Open in Covalent MOL file

Alkene Carbamate

Properties

Molecular formula: C₁₀H₁₇NO₂
Molar mass: 183.25 g/mol
Exact mass: 183.1259 Da
logP: 2.23Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

193751-54-1

SMILES

CC(C)(C)OC(=O)NC1CC=CC1

InChIKey

QPKZZWRUFCUFEI-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)

Weigh it out

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

Work with N-1-Boc-amino-3-cyclopentene

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-N-Boc-amino-azetidine91188-13-566 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-964 % similar exo-3-Boc-aminotropane132234-68-560 % similar tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-460 % similar tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-360 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-160 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-659 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-0 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-7 4-Diethylamino-2-butynyl acetate22396-77-6 tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate85838-94-4

Elsewhere

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