Basic information
- Standard SMILES
O=C1c2ccccc2CCN1CCCO- InChIKey
NKMQXCKKINTYTE-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-(3-Hydroxypropan-1-yl)-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 2-(3-hydroxypropyl)-3,4-dihydroisoquinolin-1-one
Names & synonyms
2-(3-Hydroxypropan-1-yl)-3,4-dihydroisoquinolin-1(2H)-one380612-58-8SCHEMBL5380985SCHEMBL30183548NKMQXCKKINTYTE-UHFFFAOYSA-NAKOS013545296DB-3460721(2H)-Isoquinolinone, 3,4-dihydro-2-(3-hydroxypropyl)-
Database identifiers
- PubChem CID
- 22483986
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
3 records
Compound notes
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