Basic information
- CAS
63045-59-0- Standard SMILES
C=Cn1ccc(C(C)C)c1-c1ccccc1- InChIKey
QPQUFSGWSDFRLQ-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- 1-Ethenyl-2-phenyl-3-(propan-2-yl)-1H-pyrrole
- IUPAC
- 1-ethenyl-2-phenyl-3-propan-2-ylpyrrole
Names & synonyms
1-Ethenyl-2-phenyl-3-(propan-2-yl)-1H-pyrrole63045-59-0DTXSID70488750RefChem:230052DTXCID70439560
Database identifiers
- CAS
63045-59-0- PubChem CID
- 12322158
- DTXSID
DTXSID70488750- Nikkaji
- J519.344C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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