Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(C)c3ccc(I)cc3OC2C1- InChIKey
MCTHEZWVMDTQKH-UHFFFAOYSA-N- Molecular formula
- C17H22INO3
- Average molar mass
- 415.27 g/mol
- Monoisotopic mass
- 415.06444
Names & identifiers
- Preferred name
- Tert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
- IUPAC
- tert-butyl 7-iodo-4a-methyl-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL12517218MCTHEZWVMDTQKH-UHFFFAOYSA-Ntert-butyl 7-iodo-4a-methyl-3,4,4a,9a tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylateTert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 68304821
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
Loading…