1-Hydroxy-4-(5-hydroxyhex-1-en-3-yl)isoquinolin-3(4H)-one
Basic information
- CAS
92647-07-9- Standard SMILES
C=CC(CC(C)O)C1C(=O)NC(=O)c2ccccc21- InChIKey
SMJFHPOAVXAXDR-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 1-Hydroxy-4-(5-hydroxyhex-1-en-3-yl)isoquinolin-3(4H)-one
- IUPAC
- 4-(5-hydroxyhex-1-en-3-yl)-4H-isoquinoline-1,3-dione
Names & synonyms
92647-07-9DTXSID509190321-Hydroxy-4-(5-hydroxyhex-1-en-3-yl)isoquinolin-3(4H)-oneRefChem:1055580DTXCID401347970AllylhydroxypropylhomophthalimideBRN 1624184Imid kwasu alpha-allilo-alpha-(beta-hydroksypropylo)homoftalowego [Polish]Allilo-(beta-hydroksypropylo)-homoftalimid [Polish]4-Allyl-4-(2-hydroxypropyl)-1,3(2H,4H)-isoquinolinedioneAllilo-(beta-hydroksypropylo)-homoftalimid1,3(2H,4H)-ISOQUINOLINEDIONE, 4-ALLYL-4-(2-HYDROXYPROPYL)-
Show more names
5-21-13-00223 (Beilstein Handbook Reference)Imid kwasu alpha-allilo-alpha-(beta-hydroksypropylo)homoftalowego
Database identifiers
- CAS
92647-07-9- PubChem CID
- 56464
- DTXSID
DTXSID50919032
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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