Tert-butyl 3-bromo-4-oxo-azepane-1-carboxylate

HCID 66613331
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C(Br)C1
InChIKey
KFQYOTIYPYRSLH-UHFFFAOYSA-N
Molecular formula
C11H18BrNO3
Average molar mass
292.17 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-bromo-4-oxo-azepane-1-carboxylate
IUPAC
tert-butyl 3-bromo-4-oxoazepane-1-carboxylate

Names & synonyms

1363286-45-6tert-butyl 3-bromo-4-oxo-azepane-1-carboxylatetert-butyl 3-bromo-4-oxoazepane-1-carboxylateSCHEMBL173426KFQYOTIYPYRSLH-UHFFFAOYSA-NSB74207tert-butyl3-bromo-4-oxoazepane-1-carboxylateEN300-2334613-bromohexahydro-4-oxo-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester

Database identifiers

PubChem CID
66613331

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

1 records
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Compound notes

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