Basic information
- CAS
103422-56-6- Standard SMILES
CC(=O)Nc1ccc2c(c1)CCC1CC(=O)NN=C21- InChIKey
BGYKFEZDXJOZNT-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- Acetamide, N-(2,3,4,4a,5,6-hexahydro-3-oxobenzo(h)cinnolin-8-yl)-
- IUPAC
- N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)acetamide
- English name
- Brn 6572492
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
103422-56-6Acetamide, N-(2,3,4,4a,5,6-hexahydro-3-oxobenzo(h)cinnolin-8-yl)-RefChem:1075316BRN 6572491(+)-8-(Acetylamino)-4,4a,5,6-tetrahydrobenzo(h)cinnolin-3(2H)-oneBRN 4297373(+)-N-(2,3,4,4a,5,6-Hexahydro-3-oxobenzo(h)cinnolin-8-yl)acetamideAcetamide, N-(2,3,4,4a,5,6-hexahydro-3-oxobenzo(h)cinnolin-8-yl)-, (+)-103602-97-7BBR-1508BRN 6572492N-(2,3,4,4a,5,6-Hexahydro-3-oxobenzo(h)cinnolin-8-yl)acetamide
Show more names
(-)-N-(2,3,4,4a,5,6-Hexahydro-3-oxobenzo(h)cinnolin-8-yl)acetamide(-)-8-(Acetylamino)-4,4a,5,6-tetrahydrobenzo(h)cinnolin-3(2H)-oneAcetamide, N-(2,3,4,4a,5,6-hexahydro-3-oxobenzo(h)cinnolin-8-yl)-, (-)-103602-95-5CHEMBL40466SCHEMBL10341508DTXSID80908373BGYKFEZDXJOZNT-UHFFFAOYSA-N
Database identifiers
- CAS
103422-56-6、103602-95-5、103602-97-7、121866-03-3- PubChem CID
- 219045
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.20(Predicted)
Related reactions
5 records
Compound notes
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