Basic information
- Standard SMILES
[C-]#[N+][C@H]1[C@H]2[C@H](C[C@](C)(C=C)[C@H]1Cl)c1c[nH]c3cccc(c13)C2(C)C- InChIKey
XUTSPGYKKOHASN-VMWVYCIHSA-N- Molecular formula
- C21H23ClN2
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1549764
Overview
12-Epi-Hapalindole G (form 2) has been reported in Hapalosiphon with data available.
Names & identifiers
- Preferred name
- 12-Epi-Hapalindole G (form 2)
- IUPAC
- (2S,4R,5R,6S,7S)-5-chloro-4-ethenyl-6-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
Names & synonyms
12-Epi-Hapalindole G (form 2)DTXSID801334727(6aS,7S,8R,9R,10aS)-8-Chloro-9-ethenyl-7-isocyano-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
Database identifiers
- PubChem CID
- 155802428
- DTXSID
DTXSID801334727
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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