Basic information
- CAS
28168-60-7- Standard SMILES
N#CC1CC(c2ccccc2)=NC1c1ccccc1- InChIKey
WJQQITMUIRDYKK-UHFFFAOYSA-N- Molecular formula
- C17H14N2
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.11569846
Names & identifiers
- Preferred name
- 2,5-Diphenyl-3,4-dihydro-2H-pyrrole-3-carbonitrile
- IUPAC
- 2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carbonitrile
Names & synonyms
2,5-Diphenyl-3,4-dihydro-2H-pyrrole-3-carbonitrile41413-90-5NSC 167291DTXSID8095091328168-60-7RefChem:247676DTXCID101379051NSC167291NSC167314NSC167308NSC-167291NSC-167308
Show more names
NSC-16731441413-89-2
Database identifiers
- CAS
28168-60-7、41413-89-2、41413-90-5- PubChem CID
- 296804
- DTXSID
DTXSID80950913
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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