Methyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate
Basic information
- CAS
5336-41-4- Standard SMILES
COC(=O)C1CN(Cc2ccccc2)C(=O)C1=O- InChIKey
PMZXKPNJLDBYCF-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- Methyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate
- IUPAC
- methyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate
Names & synonyms
methyl 1-benzyl-4,5-dioxopyrrolidine-3-carboxylate5336-41-4MLS002637506NSC325SCHEMBL11492920DTXSID50276995NSC-325HMS3079E071-BENZYL-4, METHYL ESTERBDBM50009840AKOS015939873SMR001547044
Show more names
1-BENZYL-4,5-DIOXO-3-PYRROLIDINECARBOXYLIC ACID, METHYL ESTER1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
Database identifiers
- CAS
5336-41-4- PubChem CID
- 219262
- DTXSID
DTXSID50276995
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
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Related reactions
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Compound notes
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