2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-cyclohexyl-
Basic information
- CAS
139477-42-2- Standard SMILES
O=C1CC(c2ccc(Cl)cc2)C(=O)N1C1CCCCC1- InChIKey
MCUKORKSQMMROT-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-cyclohexyl-
- IUPAC
- 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
Names & synonyms
139477-42-22,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-cyclohexyl-RefChem:1060166BRN 48142613-(4-Chlorophenyl)-1-cyclohexyl-2,5-pyrrolidinedione3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dioneDTXSID10930480
Database identifiers
- CAS
139477-42-2- PubChem CID
- 3071966
- DTXSID
DTXSID10930480- Nikkaji
- J426.607B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…