chempirical

Benzyl 3-pyrroline-1-carboxylate

C12H13NO2CAS 31970-04-4203.24 g/mol

Open in Covalent MOL file
OON
AlkeneCarbamate

Properties

Molecular formula
C12H13NO2
Molar mass
203.24 g/mol
Exact mass
203.0946 Da
logP
2.19Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
31970-04-4
SMILES
O=C(OCc1ccccc1)N1CC=CC1
InChIKey
XSKKIFJNZPNVGO-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2

Weigh it out

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

Names and synonyms

11 names
  • 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, phenylmethyl ester
  • 1-Cbz-3-pyrroline
  • Benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate
  • 3-Pyrroline-1-carboxylic acid, benzyl ester
  • N-(Benzyloxycarbonyl)-3-pyrroline
  • 1-Benzyloxycarbonyl-3-pyrroline
  • 2,5-Dihydropyrrole-1-carboxylic acid benzyl ester
  • 2,5-Dihydro-1H-pyrrole-1-carboxylic acid benzyl ester
  • 2,5-Dihydro-1H-pyrrole-1-carboxylic acid phenylmethyl ester
  • 2H,5H-Pyrrole-1-carboxylic acid benzyl ester
  • N-Cbz-2,5-dihydropyrrole

Work with Benzyl 3-pyrroline-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

Benzyl 4-oxo-1-piperidinecarboxylate19099-93-562 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-261 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-661 % similar Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-661 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-360 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-957 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-157 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-857 % similar

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

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 N-Butylphthalimide1515-72-6 1-Benzoyl-4-piperidone24686-78-0 Ethyl 1H-indole-3-acetate778-82-5 Damc87-01-4

Elsewhere

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