Basic information
- Standard SMILES
C#Cc1cc(C)c(C2=C(OC)CC(Cc3ccccn3)C2=O)c(C)c1- InChIKey
ZOCAOZWXXNMHRD-UHFFFAOYSA-N- Molecular formula
- C22H21NO2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15722891
Names & identifiers
- Preferred name
- Rac-2-(4-ethynyl-2,6-dimethylphenyl)-3-methoxy-5-pyridin-2-ylmethylcyclopent-2-enone
- IUPAC
- 2-(4-ethynyl-2,6-dimethylphenyl)-3-methoxy-5-(pyridin-2-ylmethyl)cyclopent-2-en-1-one
Names & synonyms
SCHEMBL14993739ZOCAOZWXXNMHRD-UHFFFAOYSA-Nrac-2-(4-ethynyl-2,6-dimethylphenyl)-3-methoxy-5-pyridin-2-ylmethylcyclopent-2-enone
Database identifiers
- PubChem CID
- 89601448
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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