Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Benzyl 1-(2-oxopentanoyl)pyrrolidine-2-carboxylate (HCID 21297840)|Huagongshe
Home
/
Compound
Benzyl 1-(2-oxopentanoyl)pyrrolidine-2-carboxylate
HCID
21297840
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCCC(=O)C(=O)N1CCCC1C(=O)OCc1ccccc1
InChIKey
FOGBBWXJUUJVIS-UHFFFAOYSA-N
Molecular formula
C17H21NO4
Average molar mass
303.35 g/mol
Names & identifiers
Preferred name
Benzyl 1-(2-oxopentanoyl)pyrrolidine-2-carboxylate
IUPAC
benzyl 1-(2-oxopentanoyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL10653758
Database identifiers
PubChem CID
21297840
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
63.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
415
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
819313
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
Loading…