Basic information
- Standard SMILES
COC(=O)C1C(=O)NCC1c1ccc(Cl)cc1- InChIKey
ZDKJGQQTDDIJEF-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO3
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0505709
Names & identifiers
- Preferred name
- Methyl 4-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate
- IUPAC
- methyl 4-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate
Names & synonyms
methyl 4-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate140484-26-0AKOS024366556ST51000155EN300-3626373-Pyrrolidinecarboxylicacid,4-(4-chlorophenyl)-2-oxo-,methylester3-Pyrrolidinecarboxylic acid, 4-(4-chlorophenyl)-2-oxo-, methyl ester
Database identifiers
- PubChem CID
- 3315516
- Nikkaji
- J3.527.634C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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