Basic information
- Standard SMILES
COC1=C(c2c(C)cc(Br)cc2C)C(=O)C(=Cc2ccccn2)C1- InChIKey
YWMDFOJMTGCGAA-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO2
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.05209
Names & identifiers
- Preferred name
- 2-(4-Bromo-2,6-dimethylphenyl)-3-methoxy-5-[1-pyridin-2-ylmethylidene]cyclopent-2-enone
- IUPAC
- 2-(4-bromo-2,6-dimethylphenyl)-3-methoxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one
Names & synonyms
SCHEMBL14993478YWMDFOJMTGCGAA-UHFFFAOYSA-N2-(4-bromo-2,6-dimethylphenyl)-3-methoxy-5-[1-pyridin-2-ylmethylidene]cyclopent-2-enone
Database identifiers
- PubChem CID
- 89601273
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
Related reactions
2 records
Compound notes
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