tert-butyl 6-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

HCID 68304820
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC2(C)c3cc(I)ccc3OC2C1
InChIKey
PVEHNGSFHCMBKX-UHFFFAOYSA-N
Molecular formula
C17H22INO3
Average molar mass
415.27 g/mol

Names & identifiers

Preferred name
tert-butyl 6-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
IUPAC
tert-butyl 6-iodo-4a-methyl-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate

Names & synonyms

SCHEMBL12517217PVEHNGSFHCMBKX-UHFFFAOYSA-Ntert-butyl 6-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

Database identifiers

PubChem CID
68304820

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

Related reactions

2 records
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Linked notes

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