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Basic information
- CAS
1105710-06-2- Standard SMILES
N#CC#Cc1ccc2cnccc2c1- InChIKey
XUVVYNCTWZGXLS-UHFFFAOYSA-N- Molecular formula
- C12H6N2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.05309819
Names & identifiers
- Preferred name
- 3-(Isoquinolin-6-yl)propiolonitrile
- IUPAC
- 3-isoquinolin-6-ylprop-2-ynenitrile
Names & synonyms
3-(isoquinolin-6-yl)propiolonitrile1105710-06-2SCHEMBL1519582XUVVYNCTWZGXLS-UHFFFAOYSA-NDTXSID6012891723-(6-Isoquinolinyl)-2-propynenitrile3-(Isoquinolin-6-yl)prop-2-ynenitrile
Database identifiers
- CAS
1105710-06-2- PubChem CID
- 57950667
- DTXSID
DTXSID601289172
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Related reactions
3 records
Compound notes
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