2-(5-Methoxy-4-methyl-1H-indol-3-yl)acetonitrile
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Basic information
- Standard SMILES
COc1ccc2[nH]cc(CC#N)c2c1C- InChIKey
CSTVPQSLVPIECP-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
Names & identifiers
- Preferred name
- 2-(5-Methoxy-4-methyl-1H-indol-3-yl)acetonitrile
- IUPAC
- 2-(5-methoxy-4-methyl-1H-indol-3-yl)acetonitrile
Names & synonyms
745060-04-22-(5-Methoxy-4-methyl-1H-indol-3-yl)acetonitrileSCHEMBL5680499CSTVPQSLVPIECP-UHFFFAOYSA-N(5-methoxy-4-methyl-1H-indol-3-yl)-acetonitrile
Database identifiers
- PubChem CID
- 22018496
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
2 records
Compound notes
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