Basic information
- CAS
6139-25-9- Standard SMILES
CCCC1(c2ccccc2)CCC(=O)N1- InChIKey
DYVMNYVUUPALEF-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2-Phenyl-2-propyl-3,4-dihydro-2H-pyrrol-5-ol
- IUPAC
- 5-phenyl-5-propylpyrrolidin-2-one
Names & synonyms
6139-25-9DTXSID609769342-Phenyl-2-propyl-3,4-dihydro-2H-pyrrol-5-olRefChem:1064142DTXCID0014043005-Phenyl-5-propyl-2-pyrrolidinone2-Pyrrolidinone, 5-phenyl-5-propyl-
Database identifiers
- CAS
6139-25-9- PubChem CID
- 201509
- DTXSID
DTXSID60976934
Properties
Computed structural properties
- XLogP
- 2.2
- 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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