6,7,8,9-Tetrahydro-[1,3]dioxolo [4,5-h]isoquinoline
Basic information
- CAS
33332-07-9- Standard SMILES
c1cc2c(c3c1CCNC3)OCO2- InChIKey
HQVFWMFRDZKLPB-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 6,7,8,9-Tetrahydro-[1,3]dioxolo [4,5-h]isoquinoline
- IUPAC
- 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline
Names & synonyms
SCHEMBL3872994HQVFWMFRDZKLPB-UHFFFAOYSA-NNSC788826NSC-7888266,7,8,9-tetrahydro-[1,3]dioxolo [4,5-h]isoquinoline
Database identifiers
- CAS
33332-07-9- PubChem CID
- 36414
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
2 records
Compound notes
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