Basic information
- CAS
89246-76-4- Standard SMILES
CC(=N)c1c2c(c(OC(C)C)[nH]c1=O)CCCC2- InChIKey
PUGKMRZCKHFDGY-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-(1-methylethoxy)-
- IUPAC
- 4-ethanimidoyl-1-propan-2-yloxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Names & synonyms
3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-4-(1-IMINOETHYL)-1-(1-METHYLETHOXY)-89246-76-4RefChem:10654473-Isoquinolinol, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-isopropoxy-5,6,7,8-Tetrahydro-4-(1-iminoethyl)-1-isopropoxy-3(2H)-isoquinolinone
Database identifiers
- CAS
89246-76-4- PubChem CID
- 55929
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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