Basic information
- CAS
89246-47-9- Standard SMILES
CC(=N)c1c2c(c(O)n(C)c1=O)CCCC2- InChIKey
XRLRNIATRWAXAR-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one
- IUPAC
- 4-ethanimidoyl-1-hydroxy-2-methyl-5,6,7,8-tetrahydroisoquinolin-3-one
Names & synonyms
5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one1(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-3-HYDROXY-4-(1-IMINOMETHYL)-2-METHYL-89246-47-9
Database identifiers
- CAS
89246-47-9- PubChem CID
- 55922
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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