1-Benzyl-5-(decyloxy)pyrrolidin-2-one
Basic information
- CAS
136410-45-2- Standard SMILES
CCCCCCCCCCOC1CCC(=O)N1Cc1ccccc1- InChIKey
JIQJMRLZSOCRHE-UHFFFAOYSA-N- Molecular formula
- C21H33NO2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.2511293
Names & identifiers
- Preferred name
- 1-Benzyl-5-(decyloxy)pyrrolidin-2-one
- IUPAC
- 1-benzyl-5-decoxypyrrolidin-2-one
Names & synonyms
136410-45-21-BENZYL-5-(DECYLOXY)PYRROLIDIN-2-ONEDTXSID70929431RefChem:1054982DTXCID401358179BRN 4757281(+-)-5-(Decyloxy)-1-(phenylmethyl)-2-pyrrolidinone2-Pyrrolidinone, 5-(decyloxy)-1-(phenylmethyl)-, (+-)-SCHEMBL9820709
Database identifiers
- CAS
136410-45-2- PubChem CID
- 3077976
- DTXSID
DTXSID70929431- Nikkaji
- J423.566E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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