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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
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 5,6-dihydropyridine-1(2H)-carboxylate66207-23-680 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-562 % similar Benzyl piperazine-1-carboxylate31166-44-662 % similar Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-562 % 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 1-Cbz-4-methylene-piperidine138163-12-961 % 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 Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-3 1-Benzoyl-4-piperidone24686-78-0 Ethyl 1H-indole-3-acetate778-82-5 DAMC87-01-4 N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide88611-67-0

Elsewhere

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