Basic information
- Standard SMILES
O=C1NC2(CCN(Cc3cccc(Br)n3)CC2)CO1- InChIKey
LFCJWKRENDZETQ-UHFFFAOYSA-N- Molecular formula
- C13H16BrN3O2
- Average molar mass
- 326.19 g/mol
- Monoisotopic mass
- 325.04259
Names & identifiers
- Preferred name
- 8-[(6-Bromopyridin-2-yl)methyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
- IUPAC
- 8-[(6-bromo-2-pyridinyl)methyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
Names & synonyms
SCHEMBL3508969LFCJWKRENDZETQ-UHFFFAOYSA-N8-[(6-bromopyridin-2-yl)methyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
Database identifiers
- PubChem CID
- 86646263
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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