Basic information
- CAS
827017-56-1- Standard SMILES
CCCCc1ccc(CCCC)n1-c1ccccc1- InChIKey
VSOPAZRUHWCIAN-UHFFFAOYSA-N- Molecular formula
- C18H25N
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.1986998
Names & identifiers
- Preferred name
- 2,5-Dibutyl-1-phenyl-1H-pyrrole
- IUPAC
- 2,5-dibutyl-1-phenylpyrrole
Names & synonyms
2,5-dibutyl-1-phenyl-1H-pyrrole827017-56-1DTXSID50837207RefChem:247306DTXCID40787949
Database identifiers
- CAS
827017-56-1- PubChem CID
- 71417877
- DTXSID
DTXSID50837207
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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