Basic information
- Standard SMILES
CN1CCCC1c1cncc(C#Cc2ccccc2)c1.O=C(O)/C=C/C(=O)O- InChIKey
OODRTTIFHCWULW-WLHGVMLRSA-N- Molecular formula
- C22H22N2O4
- Average molar mass
- 378.4 g/mol
Names & identifiers
- Preferred name
- 5-(Phenylethynyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate
- IUPAC
- (E)-but-2-enedioic acid;3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine
Names & synonyms
SCHEMBL6960621OODRTTIFHCWULW-WLHGVMLRSA-N5-(phenylethynyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate5- (phenylethynyl) -3 - (1-methyl-2-pyrrolidinyl)pyridine fumarate
Database identifiers
- PubChem CID
- 19694341
Properties
Computed structural properties
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Related reactions
5 records
Linked notes
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