4-Amino-3-bromo-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one
Basic information
- CAS
6950-48-7- Standard SMILES
Nc1c2c([nH]c(=O)c1Br)CCC2- InChIKey
TUTGUALTIUSEJO-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.98983
Names & identifiers
- Preferred name
- 4-Amino-3-bromo-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one
- IUPAC
- 4-amino-3-bromo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Names & synonyms
6950-48-74-amino-3-bromo-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-oneNSC65754NCIOpen2_003183DTXSID30289947NSC-65754
Database identifiers
- CAS
6950-48-7- PubChem CID
- 248530
- DTXSID
DTXSID30289947
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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