3-(2-Oxobutyl)-3,4-dihydroquinoxalin-2(1H)-one
Basic information
- CAS
592534-84-4- Standard SMILES
CCC(=O)CC1Nc2ccccc2NC1=O- InChIKey
PNVMHLCCDFVSDF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 3-(2-Oxobutyl)-3,4-dihydroquinoxalin-2(1H)-one
- IUPAC
- 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
Names & synonyms
592534-84-43-(2-Oxobutyl)-3,4-dihydroquinoxalin-2(1H)-oneDTXSID90787191
Database identifiers
- CAS
592534-84-4- PubChem CID
- 71363678
- DTXSID
DTXSID90787191
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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