Basic information
- Standard SMILES
N#CCC1=CCc2ccccc21- InChIKey
XKRYOUCCZJSMIW-UHFFFAOYSA-N- Molecular formula
- C11H9N
- Average molar mass
- 155.2 g/mol
Names & identifiers
- Preferred name
- 1H-Indene-3-acetonitrile
- IUPAC
- 2-(3H-inden-1-yl)acetonitrile
Names & synonyms
2-(1H-Inden-3-yl)acetonitrile10381-08-51H-Indene-3-acetonitrile2-(3H-inden-1-yl)acetonitrile3-cyanomethylindene1H-inden-3-ylacetonitrileSCHEMBL7378202XKRYOUCCZJSMIW-UHFFFAOYSA-NAM-970/41069465
Database identifiers
- PubChem CID
- 69868
- Nikkaji
- J1.101.858K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Related reactions
4 records
Compound notes
Loading…