Basic information
- CAS
194282-72-9- Standard SMILES
Cc1cc2c(c(=O)o1)C(c1ccccc1)C(C#N)=C(N)O2- InChIKey
YUBIPEJSAWGMBV-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
- IUPAC
- 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile
Names & synonyms
194282-72-92-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrileTIMTEC-BB SBB001132YUBIPEJSAWGMBV-UHFFFAOYSA-NOprea1_054342Oprea1_186820CHEMBL2282437DTXSID50346026STK004568AKOS000558805AKOS016038136
Show more names
ST007060CS-0320746AB00074605-01AK-777/36504001SR-01000509250SR-01000509250-12-amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2-c]pyran-3-carbonitrile2-amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
Database identifiers
- CAS
194282-72-9- PubChem CID
- 608903
- DTXSID
DTXSID50346026- ChEMBL
CHEMBL2282437- Nikkaji
- J871.127E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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