Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Properties
- Molecular formula
- C14H17NO3
- Molar mass
- 247.29 g/mol
- Exact mass
- 247.1208 Da
- logP
- 1.25Crippen estimate
- Polar surface area
- 46.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
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
1027-35-6SMILES
CCOC(=O)C1CN(CC1=O)CC2=CC=CC=C2InChIKey
XLKXIFXOWMGWNT-UHFFFAOYSA-NInChI
InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate
Work with Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Similar compounds
Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-780 % similar
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-074 % similar
Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-173 % similar
Ethyl N-cbz-4-oxopyrrolidine-3-carboxylate51814-19-864 % similar
Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-260 % similar
Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-860 % similar
1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-858 % similar
Ethyl 1,4-dibenzylpiperazine-2-carboxylate72351-59-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.