Basic information
- CAS
106073-17-0- Standard SMILES
N#CC1Cc2ccccc2NC1=O- InChIKey
VKKXUYMZWXMMJH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-cyano-3,4-dihydroquinoline-2(1H)-one
- IUPAC
- 2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
- English name
- 3-cyano-3,4-dihydroquinoline-2(1H)-one
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
106073-17-03-Cyano-3,4-dihydroquinoline-2(1H)-oneCompound 84-182RefChem:935602-oxo-1,2,3,4-tetrahydroquinoline-3-carbonitrile2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrileBRN 46787581,2,3,4-Tetrahydro-2-oxo-3-quinolinecarbonitrile3-Quinolinecarbonitrile,1,2,3,4-tetrahydro-2-oxo-MFCD016857793-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-DTXSID10909893
Show more names
AKOS006279006NS-014082-Hydroxy-3,4-dihydroquinoline-3-carbonitrile
Database identifiers
- CAS
106073-17-0- PubChem CID
- 129174
- DTXSID
DTXSID10909893
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 265
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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