Basic information
- CAS
676132-43-7- Standard SMILES
C=CCC1CCCN1C(=O)OCc1ccccc1- InChIKey
DCBMOGBWMXETKH-UHFFFAOYSA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Names & identifiers
- Preferred name
- 1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, phenylmethyl ester
- IUPAC
- benzyl 2-prop-2-enylpyrrolidine-1-carboxylate
Names & synonyms
676132-43-7BENZYL 2-(PROP-2-EN-1-YL)PYRROLIDINE-1-CARBOXYLATE1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, phenylmethyl esterDTXSID50463787EN300-7158087
Database identifiers
- CAS
676132-43-7- PubChem CID
- 11368581
- DTXSID
DTXSID50463787- Nikkaji
- J1.998.678K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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