1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, pentyl ester
Basic information
- CAS
623563-98-4- Standard SMILES
CCCCCOC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21- InChIKey
NGQQHLJTTPUAFQ-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Names & identifiers
- Preferred name
- 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, pentyl ester
- IUPAC
- pentyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
Names & synonyms
623563-98-41H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, pentyl esterPentyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylateSCHEMBL13109324DTXSID10469644
Database identifiers
- CAS
623563-98-4- PubChem CID
- 11624002
- DTXSID
DTXSID10469644
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
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