5-(Oct-1-ynyl)-1H-indole
Basic information
- Standard SMILES
CCCCCCC#Cc1ccc2[nH]ccc2c1- InChIKey
XYELVPZRAAWPRY-UHFFFAOYSA-N- Molecular formula
- C16H19N
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.15174961
Names & identifiers
- Preferred name
- 5-(Oct-1-ynyl)-1H-indole
- IUPAC
- 5-oct-1-ynyl-1H-indole
Names & synonyms
SCHEMBL5663495-(Oct-1-ynyl)-1H-indoleXYELVPZRAAWPRY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66726751
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
5 records
Compound notes
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