Basic information
- Standard SMILES
C=CCOc1cc(N)ccc1C#N- InChIKey
JOJXKJWLTWFZJZ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 2-(Allyloxy)-4-aminobenzonitrile
- IUPAC
- 4-amino-2-prop-2-enoxybenzonitrile
Names & synonyms
2-(allyloxy)-4-aminobenzonitrile757247-69-1SCHEMBL3617212-Allyloxy-4-aminobenzonitrileJOJXKJWLTWFZJZ-UHFFFAOYSA-NDA-27941
Database identifiers
- PubChem CID
- 59754236
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Related reactions
8 records
Compound notes
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