Basic information
- Standard SMILES
CN1C2CC(O)CC1C1OC12- InChIKey
FIMXSEMBHGTNKT-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
Overview
9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-ol has been reported in Datura stramonium with data available.
Names & identifiers
- Preferred name
- 9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol
- IUPAC
- 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
Names & synonyms
9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-olRefChem:1075017Isoscopine1054561-82-8Tiotropium Bromide Impurity 19orb1300577SCHEMBL1191607Tiotropium Bromide Impurity 53(2R,4S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-olFIMXSEMBHGTNKT-UHFFFAOYSA-NAAA49846
Show more names
s2545AKOS015961980AB86974EBC-615716AC-15492AS-55901T66629-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol
Database identifiers
- PubChem CID
- 274439
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Related reactions
8 records
Compound notes
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