Basic information
- Standard SMILES
Cc1c(C#N)c(=O)oc2ccc3ccccc3c12- InChIKey
RGRGPGCLFUBENQ-UHFFFAOYSA-N- Molecular formula
- C15H9NO2
- Average molar mass
- 235.24 g/mol
Names & identifiers
- Preferred name
- 1-methyl-3-oxo-3H-benzo[f]chromene-2-carbonitrile
- IUPAC
- 1-methyl-3-oxobenzo[f]chromene-2-carbonitrile
Names & synonyms
1-methyl-3-oxo-3H-benzo[f]chromene-2-carbonitrileMLS0005370731-methyl-3-oxobenzo[f]chromene-2-carbonitrileSCHEMBL7885084CHEMBL1341687RGRGPGCLFUBENQ-UHFFFAOYSA-NHMS2359H12SMR000163889AI-031/40848067
Database identifiers
- PubChem CID
- 900907
- ChEMBL
CHEMBL1341687- Nikkaji
- J1.349.833D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 456
Related reactions
1 records
Compound notes
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