Basic information
- CAS
126681-73-0- Standard SMILES
O=C1C=C(c2ccccc2)OC1=NC12CC3CC(CC(C3)C1)C2- InChIKey
VBBFXPFWUSLLNF-UHFFFAOYSA-N- Molecular formula
- C20H21NO2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.15722891
Names & identifiers
- Preferred name
- 2-(1-Adamantylimino)-5-phenylfuran-3-one
- IUPAC
- 2-(1-adamantylimino)-5-phenylfuran-3-one
- English name
- 5-Phenyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone
- Molecular formula
- C20H21NO2
- Molecular weight
- 307.39
Names & synonyms
126681-73-0BRN 42005635-Phenyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone3(2H)-Furanone, 5-phenyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-2-(1-adamantylimino)-5-phenylfuran-3-one3(2H)-Furanone, 5-phenyl-2-(tricyclo[3.3.1.13,7]dec-1-ylimino)-
Database identifiers
- CAS
126681-73-0- PubChem CID
- 3079907
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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