Basic information
- CAS
123064-91-5- Standard SMILES
Cn1cc2c3c1C(=O)C(=O)C(Cl)=C3NCC2- InChIKey
PDESZTFOYLDOBQ-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Overview
Batzelline C has been reported in Zyzzya fuliginosa and Batzella with data available.
Names & identifiers
- Preferred name
- Batzelline C
- IUPAC
- 9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Names & synonyms
Batzelline C123064-91-5Pyrrolo(4,3,2-de)quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-DTXSID101538549-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione9-chloro-2-methyl-2,7-diazatricyclo(6.3.1.04,12)dodeca-1(12),3,8-triene-10,11-dionePyrrolo[4,3,2-de]quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-RefChem:116676DTXCID9076345chloro(methyl)[?]dioneSCHEMBL29519701NSC700002
Show more names
NSC-7000026-Chloro-1-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione
Database identifiers
- CAS
123064-91-5- PubChem CID
- 2300
- DTXSID
DTXSID10153854- Nikkaji
- J331.885K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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