Basic information
- Standard SMILES
CN1CCCC1c1cncc(C#Cc2ccccc2)c1- InChIKey
XLDKTSYVIGEYSX-UHFFFAOYSA-N- Molecular formula
- C18H18N2
- Average molar mass
- 262.3 g/mol
Names & identifiers
- Preferred name
- 5-Phenylethynyl-3-(1-methyl-2-pyrrolidinyl)pyridine
- IUPAC
- 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine
Names & synonyms
SCHEMBL6964032XLDKTSYVIGEYSX-UHFFFAOYSA-N5-phenylethynyl-3-(1-methyl-2-pyrrolidinyl)pyridine
Database identifiers
- PubChem CID
- 19694342
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
5 records
Compound notes
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