tert-Butyl 3-iodopyrrolidine-1-carboxylate

C9H16INO2CAS 774234-25-2297.14 g/mol

Open in Covalent MOL file
OONI
Alkyl halideCarbamate

Properties

Molecular formula
C9H16INO2
Molar mass
297.14 g/mol
Exact mass
297.0226 Da
logP
2.43Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
774234-25-2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)I
InChIKey
CFTPTQLIAIOWLK-UHFFFAOYSA-N
InChI
InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Boc-3-iodopyrrolidine

Work with tert-Butyl 3-iodopyrrolidine-1-carboxylate

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 4-iodopiperidine-1-carboxylate301673-14-382 % similar tert-Butyl 3-iodoazetidine-1-carboxylate254454-54-176 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-563 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-963 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-063 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-563 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-063 % similar tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook