N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole

C9H15NO2CAS 73286-70-1169.22 g/mol

Open in Covalent MOL file
OON
AlkeneCarbamate

Properties

Molecular formula
C9H15NO2
Molar mass
169.22 g/mol
Exact mass
169.1103 Da
Boiling point
65–75 °C (at 1.5 Torr)
logP
1.79Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
73286-70-1
SMILES
CC(C)(C)OC(=O)N1CC=CC1
InChIKey
YEBDZDMYLQHGGZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, 1,1-dimethylethyl ester
  • 1-tert-Butoxycarbonylpyrroline
  • 2,5-Dihydro-1H-pyrrole-1-carboxylic acid 1,1-dimethylethyl ester
  • 1-(tert-Butoxycarbonyl)-3-pyrroline
  • 1-tert-Butyloxycarbonyl-3-pyrroline
  • 2,5-Dihydro-1H-pyrrole-1-carboxylic acid tert-butyl ester
  • tert-Butyl 3-pyrroline-1-carboxylate
  • 2,5-Dihydropyrrole-1-carboxylic acid tert-butyl ester
  • 1-t-Butoxycarbonyl-3-pyrroline
  • N-Boc-2,5-dihydropyrrole
  • N-Boc-3-pyrroline
  • tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate
  • tert-Butyl 2,5-pyrroline-1-carboxylate

Work with N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole

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

tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate85838-94-477 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-962 % similar N-Boc-(ethylamino)acetaldehyde315718-06-061 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-460 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-860 % similar tert-Butyl 3-formylazetidine-1-carboxylate177947-96-558 % similar N-Boc-diethanolamine103898-11-956 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-4 (E)-Ethyl 3-(pyrrolidin-1-yl)acrylate65651-80-1 Octahydroindole-2-carboxylic acid80828-13-3 (2S,3AS,7aS)-2-carboxyoctahydroindole80875-98-5 Aceclidine827-61-2 4-(2-Methylpropyl)piperidine-2,6-dione916982-10-0

Elsewhere

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