3,4-Dihydroisoquinoline-2(1H)-carbonitrile
Basic information
- CAS
1705-22-2- Standard SMILES
N#CN1CCc2ccccc2C1- InChIKey
JDANZQPMEFJIRO-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 3,4-Dihydroisoquinoline-2(1H)-carbonitrile
- IUPAC
- 3,4-dihydro-1H-isoquinoline-2-carbonitrile
Names & synonyms
1705-22-23,4-Dihydroisoquinoline-2(1H)-carbonitrileDTXSID70308666RefChem:271068DTXCID40259792NSC206637SCHEMBL2327219SCHEMBL30043742NSC-2066373,4-dihydro-2-(1h)-isoquinolinecarbonitrile
Database identifiers
- CAS
1705-22-2- PubChem CID
- 307967
- DTXSID
DTXSID70308666- Nikkaji
- J3.316.685K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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