3H-1,4,6-Ethanylylidene-2H-1,2a-diazacyclopenta(cd)pentalene, hexahydro-
Basic information
- CAS
103021-44-9- Standard SMILES
C1C2C3CN4CN5CC3C1C5C24- InChIKey
HJLXOOJJCPEXAL-UHFFFAOYSA-N- Molecular formula
- C10H14N2
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.11569846
Names & identifiers
- Preferred name
- 3H-1,4,6-Ethanylylidene-2H-1,2a-diazacyclopenta(cd)pentalene, hexahydro-
- IUPAC
- 1,10-diazapentacyclo[5.4.1.02,6.03,10.04,8]dodecane
Names & synonyms
3H-1,4,6-Ethanylylidene-2H-1,2a-diazacyclopenta(cd)pentalene, hexahydro-103021-44-93H-1,4,6-Ethanylylidene-2H-1,2a-diazacyclopenta[cd]pentalene, hexahydro-DTXSID50908163Hexahydro-2H,3H-4,6,1-(ethane[1,1,2]triyl)-1,2a-diazacyclopenta[cd]pentalene
Database identifiers
- CAS
103021-44-9- PubChem CID
- 145390
- DTXSID
DTXSID50908163
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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