Basic information
- Standard SMILES
CC(CC1CC(=O)C=CC1(O)C#Cc1ccccc1)N(C)C- InChIKey
YSNZIJLKQGZPOV-UHFFFAOYSA-N- Molecular formula
- C19H23NO2
- Average molar mass
- 297.4 g/mol
Names & identifiers
- Preferred name
- 5-[2-(N,N-Dimethylamino)propyl]-4-hydroxy-4-(phenylethynyl)-2-cyclohexen-1-one
- IUPAC
- 5-[2-(dimethylamino)propyl]-4-hydroxy-4-(2-phenylethynyl)cyclohex-2-en-1-one
Names & synonyms
SCHEMBL9209884YSNZIJLKQGZPOV-UHFFFAOYSA-N5-[2-(N,N-Dimethylamino)propyl]-4-hydroxy-4-(phenylethynyl)-2-cyclohexen-1-one
Database identifiers
- PubChem CID
- 21292357
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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