4-Oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde
Basic information
- CAS
386715-47-5- Standard SMILES
O=Cc1cc2cccc3c2n(c1=O)CC3- InChIKey
BHQKLXHVZPNJJF-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 4-Oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde
- IUPAC
- 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carbaldehyde
- English name
- 4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLINE-5-CARBALDEHYDE
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
386715-47-54-Oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde1,2-dihydro-4-oxo-pyrrolo[3,2,1-ij]-quinoline-5-carboxaldehyde4-Oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehydeMFCD015677931,2-dihydro-4-oxopyrrolo[3,2,1-ij]quinoline-5-carboxaldehyde11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-10-carbaldehyde11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carbaldehyde1,2-Dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxaldehyde1,2-Dihydro-4-oxo-pyrrolo[3,2,1-ij]-Peakdale1_001106SCHEMBL6339117
Show more names
1,2-Dihydro-5-formyl-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline4H-Pyrrolo[3,2,1-ij]quinoline-5-carboxaldehyde, 1,2-dihydro-4-oxo-
HMS521C06DTXSID00371161BHQKLXHVZPNJJF-UHFFFAOYSA-N5-Formyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline4H-Pyrrolo[3,2,1-ij]quinoline-5-carboxaldehyde,1,2-dihydro-4-oxo-SBB041621STL146409AKOS000269754
Database identifiers
- CAS
386715-47-5- PubChem CID
- 2736146
- DTXSID
DTXSID00371161
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 108 · 108~110℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2933491090 · 2933491090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933491090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Suppliers
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Related reactions
8 records
Compound notes
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