Basic information
- CAS
22196-68-5- Standard SMILES
CC(C)C1(c2ccccc2)CNC(=O)C1- InChIKey
NQKMRJDJLHJQJI-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 4-Phenyl-4-isopropyl-2-pyrrolidone
- IUPAC
- 4-phenyl-4-propan-2-ylpyrrolidin-2-one
Names & synonyms
4-Phenyl-4-isopropyl-2-pyrrolidoneZ1SS2T9ZH4UNII-Z1SS2T9ZH44-(1-Methylethyl)-4-phenyl-2-pyrrolidinone2-Pyrrolidinone, 4-(1-methylethyl)-4-phenyl-22196-68-5RefChem:1987684-Phenyl-4-isopropyl-2-pyrrolidonAKOS015451099
Database identifiers
- CAS
22196-68-5- PubChem CID
- 30997
- UNII
- Z1SS2T9ZH4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…