Basic information
- Standard SMILES
C[C@H]1CCCN1CCCOc1ccc(C2(C#N)CCOCC2)cc1- InChIKey
FCYGAQJHJGQFCU-KRWDZBQOSA-N- Molecular formula
- C20H28N2O2
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-{3-[(2S)-2-methylpyrrolidinyl]propoxy}phenyl)-tetrahydro-2H-pyran-4-carbonitrile
- IUPAC
- 4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]oxane-4-carbonitrile
Names & synonyms
SCHEMBL3271715FCYGAQJHJGQFCU-KRWDZBQOSA-N4-(4-{3-[(2S)-2-methylpyrrolidinyl]propoxy}phenyl)-tetrahydro-2H-pyran-4-carbonitrile
Database identifiers
- PubChem CID
- 68576263
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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