Basic information
- CAS
6139-27-1- Standard SMILES
CCCCC1(c2ccccc2)CCC(=O)N1- InChIKey
CHOKEQLKMIBXOX-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 2-Butyl-2-phenyl-3,4-dihydro-2H-pyrrol-5-ol
- IUPAC
- 5-butyl-5-phenylpyrrolidin-2-one
Names & synonyms
6139-27-1DTXSID809769362-Butyl-2-phenyl-3,4-dihydro-2H-pyrrol-5-olRefChem:1062676DTXCID4014043025-butyl-5-phenylpyrrolidin-2-one5-Butyl-5-phenyl-2-pyrrolidinone2-Pyrrolidinone, 5-butyl-5-phenyl-
Database identifiers
- CAS
6139-27-1- PubChem CID
- 201511
- DTXSID
DTXSID80976936
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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