Basic information
- CAS
121096-86-4- Standard SMILES
CCCN1CCCC2c3ccc(O)cc3OCC21- InChIKey
CQEATFKLDYHKCI-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- 4-Propyl-1,3,4,4a,5,10b-hexahydro-2H-[1]benzopyrano[3,4-b]pyridin-8-ol
- IUPAC
- 4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
Names & synonyms
DTXSID109236704-Propyl-1,3,4,4a,5,10b-hexahydro-2H-[1]benzopyrano[3,4-b]pyridin-8-ol
Database identifiers
- CAS
121096-86-4- PubChem CID
- 60733
- DTXSID
DTXSID10923670
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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