Basic information
- Standard SMILES
O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)n1cccc1- InChIKey
YXKQWHQZYCXURA-UHFFFAOYSA-N- Molecular formula
- C21H19NO4
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 2-(Pyrrol-1-yl)malonic acid dibenzyl ester
- IUPAC
- dibenzyl 2-pyrrol-1-ylpropanedioate
Names & synonyms
SCHEMBL8906279YXKQWHQZYCXURA-UHFFFAOYSA-N2-(pyrrol-1-yl)malonic acid dibenzyl ester
Database identifiers
- PubChem CID
- 54532374
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 415
Related reactions
1 records
Compound notes
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