Basic information
- CAS
50302-75-5- Standard SMILES
CC(=O)CCN1CCN2C(Cc3c([nH]c4ccccc34)C2C)C1- InChIKey
WCLVVICBMDOVEM-UHFFFAOYSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.19976243
Names & identifiers
- Preferred name
- 2-Butanone, 4-(6-methyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (Z)-(+-)-
- IUPAC
- 4-(2-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-2-one
Names & synonyms
BRN 53268442-Butanone, 4-(6-methyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (Z)-(+-)-50302-75-5RefChem:257834DTXSID209645794-(6-methyl-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-2-one
Database identifiers
- CAS
50302-75-5- PubChem CID
- 39596
- DTXSID
DTXSID20964579
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…