Basic information
- Standard SMILES
c1cc2c3c(c1)C1CNCCC1N3CCN2- InChIKey
LEDSAIXFIJNHLZ-UHFFFAOYSA-N- Molecular formula
- C13H17N3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.14224756
Names & identifiers
- Preferred name
- 2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo [1,2,3-de]quinoxaline
- IUPAC
- 1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
Names & synonyms
SCHEMBL5520018LEDSAIXFIJNHLZ-UHFFFAOYSA-N2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo [1,2,3-de]quinoxaline2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
Database identifiers
- PubChem CID
- 22036799
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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