Basic information
- Standard SMILES
CC1(C)OCCc2c1[nH]c1ccc(O)cc21- InChIKey
SLVTXCPDXNJYKP-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 1,3,4,9-Tetrahydro-1,1-dimethyl-6-hydroxy-pyrano[3,4-b]indole
- IUPAC
- 1,1-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-6-ol
Names & synonyms
SCHEMBL9143551SLVTXCPDXNJYKP-UHFFFAOYSA-N1,3,4,9-Tetrahydro-1,1-dimethyl-6-hydroxy-pyrano[3,4-b]indole
Database identifiers
- PubChem CID
- 19935696
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
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