Basic information
- CAS
211738-70-4- Standard SMILES
BrC1CC2(CC2)N=N1- InChIKey
WDOMXUHCDWZKKX-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2
- Average molar mass
- 175.03 g/mol
- Monoisotopic mass
- 173.97926
Names & identifiers
- Preferred name
- 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene
- IUPAC
- 6-bromo-4,5-diazaspiro[2.4]hept-4-ene
Names & synonyms
6-Bromo-4,5-diazaspiro[2.4]hept-4-eneWDOMXUHCDWZKKX-UHFFFAOYSA-NDTXSID001285291211738-70-46-Bromo-4,5-diazaspiro[2.4]hept-4-ene #5-Bromospiro[1-pyrazoline-3,1'-cyclopropane]Spiro[4,2]hept-1-ene, 1,2-diaza-3-bromo-InChI=1/C5H7BrN2/c6-4-3-5(1-2-5)8-7-4/h4H,1-3H
Database identifiers
- CAS
211738-70-4- PubChem CID
- 565477
- DTXSID
DTXSID001285291- Nikkaji
- J1.045.415H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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