Basic information
- CAS
148671-62-9- Standard SMILES
CC1(C)Cc2ccccc2C=[N+]1[O-]- InChIKey
QBKAFPLMDWRACW-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
- IUPAC
- 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium
Names & synonyms
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide3,4-Dihydro-3,3-dimethylisoquinoline 2-oxide148671-62-93,3-Dimethyl-3,4-dihydroisoquinoline N-oxideDTXSID30164043RefChem:350006DTXCID70865343,3-dimethyl-2-oxido-4H-isoquinolin-2-iummdl101002CHEMBL12990SCHEMBL1232463MDL-101002
Show more names
Z18619993823,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinoline
Database identifiers
- CAS
148671-62-9- PubChem CID
- 3073403
- DTXSID
DTXSID30164043- ChEMBL
CHEMBL12990- Nikkaji
- J807.218C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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