3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
Basic information
- CAS
89246-74-2- Standard SMILES
CCOc1[nH]c(=O)c(C(C)=N)c2c1CCCC2- InChIKey
OYPWDSMGPRCGLZ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
- IUPAC
- 4-ethanimidoyl-1-ethoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Names & synonyms
3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-1-ETHOXY-4-(1-IMINOETHYL)-89246-74-2RefChem:10654463-Isoquinolinol, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-1-Ethoxy-4-(1-iminoethyl)-5,6,7,8-tetrahydro-cyclohexa(c)pyridin-3-ol5,6,7,8-Tetrahydro-1-ethoxy-4-(1-iminoethyl)-3(2H)-isoquinolinone
Database identifiers
- CAS
89246-74-2- PubChem CID
- 55927
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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