Basic information
- CAS
85645-19-8- Standard SMILES
C=CCN1CCc2c([nH]c3cc(OC)ccc23)C1C- InChIKey
FHHKXEUDMKQIRX-UHFFFAOYSA-N- Molecular formula
- C16H20N2O
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.15756327
Names & identifiers
- Preferred name
- 7-Methoxy-1-methyl-2-prop-2-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
- IUPAC
- 7-methoxy-1-methyl-2-prop-2-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Names & synonyms
85645-19-8NSC3562187-methoxy-1-methyl-2-prop-2-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indoleHEJ-5DTXSID10320201NSC-3562187-Methoxy-1-methyl-2-(prop-2-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
85645-19-8- PubChem CID
- 337604
- DTXSID
DTXSID10320201
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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