Basic information
- CAS
80887-45-2- Standard SMILES
CC1CCC(C)N1c1ccc(C#N)cc1- InChIKey
ONIQLEIXQLBMMA-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 4-(2,5-Dimethylpyrrolidin-1-yl)benzonitrile
- IUPAC
- 4-(2,5-dimethylpyrrolidin-1-yl)benzonitrile
Names & synonyms
4-(2,5-Dimethylpyrrolidin-1-yl)benzonitrile80887-45-2DTXSID00840246
Database identifiers
- CAS
80887-45-2- PubChem CID
- 71421079
- DTXSID
DTXSID00840246
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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