Acetamide, N-(2,3,4,4a,5,6-hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-8-yl)-
Basic information
- CAS
126681-64-9- Standard SMILES
CC(=O)Nc1ccc2c(c1)CCC1(CO)CC(=O)NN=C21- InChIKey
QQSQCRYLPKYKSA-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- Acetamide, N-(2,3,4,4a,5,6-hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-8-yl)-
- IUPAC
- N-[4a-(hydroxymethyl)-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl]acetamide
Names & synonyms
N-(2,3,4,4a,5,6-Hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-8-yl)acetamide126681-64-9Acetamide, N-(2,3,4,4a,5,6-hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-8-yl)-RefChem:314940DTXSID70925670N-[3-Hydroxy-4a-(hydroxymethyl)-4,4a,5,6-tetrahydrobenzo[h]cinnolin-8-yl]ethanimidic acid
Database identifiers
- CAS
126681-64-9- PubChem CID
- 3079904
- DTXSID
DTXSID70925670
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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