5-Ethynyl-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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Basic information
- Standard SMILES
C#Cn1c2c(c3cc(C)ccc31)CN(C)CC2- InChIKey
KBISRVRXAXKUPS-UHFFFAOYSA-N- Molecular formula
- C15H16N2
- Average molar mass
- 224.3 g/mol
Names & identifiers
- Preferred name
- 5-Ethynyl-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 5-ethynyl-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL2186802KBISRVRXAXKUPS-UHFFFAOYSA-N5-Ethynyl-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 59455000
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 342
Related reactions
52 records
Compound notes
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