Basic information
- Standard SMILES
CCC#Cc1ccc2c(ccn2C(C)=O)c1- InChIKey
QCBVSXKPBVXLDB-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 1-(5-(But-1-yn-1-yl)-1H-indol-1-yl)ethanone
- IUPAC
- 1-(5-but-1-ynylindol-1-yl)ethanone
Names & synonyms
SCHEMBL793815QCBVSXKPBVXLDB-UHFFFAOYSA-N1-(5-(But-1-yn-1-yl)-1H-indol-1-yl)ethanone
Database identifiers
- PubChem CID
- 66802001
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Related reactions
1 records
Compound notes
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