Basic information
- Standard SMILES
COc1ccccc1C(c1cccn1CCC#N)N(C)C- InChIKey
OFMXEOFZVKNGJF-UHFFFAOYSA-N- Molecular formula
- C17H21N3O
- Average molar mass
- 283.37 g/mol
Names & identifiers
- Preferred name
- 3-{2-[Dimethylamino-(2-methoxyphenyl)-methyl]-pyrrol-1-yl}-propionitrile
- IUPAC
- 3-[2-[dimethylamino-(2-methoxyphenyl)methyl]pyrrol-1-yl]propanenitrile
Names & synonyms
SCHEMBL5859105OFMXEOFZVKNGJF-UHFFFAOYSA-N3-{2-[Dimethylamino-(2-methoxyphenyl)-methyl]-pyrrol-1-yl}-propionitrile
Database identifiers
- PubChem CID
- 9878906
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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