5-(4-Methylphenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone
Basic information
- CAS
126681-74-1- Standard SMILES
Cc1ccc(C2=CC(=O)C(=NC34CC5CC(CC(C5)C3)C4)O2)cc1- InChIKey
DCZFOOOJBSCTHM-UHFFFAOYSA-N- Molecular formula
- C21H23NO2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.17287898
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone
- IUPAC
- 2-(1-adamantylimino)-5-(4-methylphenyl)furan-3-one
Names & synonyms
BRN 42018275-(4-Methylphenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone3(2H)-Furanone, 5-(4-methylphenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-126681-74-1
Database identifiers
- CAS
126681-74-1- PubChem CID
- 3079908
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
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Compound notes
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