Basic information
- CAS
6139-33-9- Standard SMILES
CCCC1(C2CCCCC2)CCC(=O)N1- InChIKey
BHMFKSCVLGDXQQ-UHFFFAOYSA-N- Molecular formula
- C13H23NO
- Average molar mass
- 209.33 g/mol
- Monoisotopic mass
- 209.17796436
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 5-cyclohexyl-5-propyl-
- IUPAC
- 5-cyclohexyl-5-propylpyrrolidin-2-one
Names & synonyms
6139-33-92-Pyrrolidinone, 5-cyclohexyl-5-propyl-RefChem:10647815-cyclohexyl-5-propylpyrrolidin-2-one5-Cyclohexyl-5-propyl-2-pyrrolidinoneDTXSID309769412-Cyclohexyl-2-propyl-3,4-dihydro-2H-pyrrol-5-ol
Database identifiers
- CAS
6139-33-9- PubChem CID
- 201516
- DTXSID
DTXSID30976941
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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