Basic information
- CAS
6139-26-0- Standard SMILES
CC(C)C1(c2ccccc2)CCC(=O)N1- InChIKey
ZYFALOITZCONJI-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 5-isopropyl-5-phenyl-
- IUPAC
- 5-phenyl-5-propan-2-ylpyrrolidin-2-one
Names & synonyms
2-Pyrrolidinone, 5-isopropyl-5-phenyl-6139-26-0RefChem:10647975-Isopropyl-5-phenyl-2-pyrrolidinoneDTXSID209769352-Phenyl-2-(propan-2-yl)-3,4-dihydro-2H-pyrrol-5-ol
Database identifiers
- CAS
6139-26-0- PubChem CID
- 201510
- DTXSID
DTXSID20976935
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
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