9-((Aminocarbonyl)oxy)methyl-2,3-dihydro-1-hydroxy-7-methoxy-6-methyl-1H-pyrrolo(1,2-a)indole-5,8-dione
Basic information
- CAS
40863-79-4- Standard SMILES
COC1=C(C)C(=O)c2c(c(OC(N)=O)c3n2CC(C)C3O)C1=O- InChIKey
JOHHUFKRTKRSQI-UHFFFAOYSA-N- Molecular formula
- C15H16N2O6
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.10083623
Names & identifiers
- Preferred name
- 9-((Aminocarbonyl)oxy)methyl-2,3-dihydro-1-hydroxy-7-methoxy-6-methyl-1H-pyrrolo(1,2-a)indole-5,8-dione
- IUPAC
- (3-hydroxy-6-methoxy-2,7-dimethyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl) carbamate
Names & synonyms
40863-79-41-Hydroxy-7-methoxymitosene9-((Aminocarbonyl)oxy)methyl-2,3-dihydro-1-hydroxy-7-methoxy-6-methyl-1H-pyrrolo(1,2-a)indole-5,8-dioneDTXSID109612741H-Pyrrolo(1,2-a)indole-5,8-dione, 9-((aminocarbonyl)oxy)methyl-2,3-dihydro-1-hydroxy-7-methoxy-6-methyl-1-Hydroxy-7-methoxy-2,6-dimethyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl hydrogen carbonimidate
Database identifiers
- CAS
40863-79-4- PubChem CID
- 148388
- DTXSID
DTXSID10961274
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
LogP1.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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