Basic information
- CAS
89246-75-3- Standard SMILES
CCCOc1[nH]c(=O)c(C(C)=N)c2c1CCCC2- InChIKey
BBTOCNZISOVZNP-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-propoxy-
- IUPAC
- 4-ethanimidoyl-1-propoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Names & synonyms
3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-4-(1-IMINOETHYL)-1-PROPOXY-89246-75-3RefChem:10654483-Isoquinolinol, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-5,6,7,8-Tetrahydro-4-(1-iminoethyl)-1-propoxy-3(2H)-isoquinolinone
Database identifiers
- CAS
89246-75-3- PubChem CID
- 55928
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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