1-(4-Bromobutyl)-5-methylpyrrolidin-2-one
Basic information
- CAS
115445-32-4- Standard SMILES
CC1CCC(=O)N1CCCCBr- InChIKey
NYGYUUDZSAASAJ-UHFFFAOYSA-N- Molecular formula
- C9H16BrNO
- Average molar mass
- 234.13 g/mol
- Monoisotopic mass
- 233.04153
Names & identifiers
- Preferred name
- 1-(4-Bromobutyl)-5-methylpyrrolidin-2-one
- IUPAC
- 1-(4-bromobutyl)-5-methylpyrrolidin-2-one
Names & synonyms
1-(4-bromobutyl)-5-methylpyrrolidin-2-oneDTXSID501260806115445-32-42-Pyrrolidinone, 1-(4-bromobutyl)-5-methyl-
Database identifiers
- CAS
115445-32-4- PubChem CID
- 85557487
- DTXSID
DTXSID501260806
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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