Basic information
- Standard SMILES
O=C([O-])c1cc2cc(OCCCN3CCCC3)cnc2[nH]1.[Li+]- InChIKey
JBRIBGRHFQGCNN-UHFFFAOYSA-M- Molecular formula
- C15H18LiN3O3
- Average molar mass
- 295.3 g/mol
Names & identifiers
- Preferred name
- lithium 5-(3-pyrrolidin-1-yl-propoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- IUPAC
- lithium 5-(3-pyrrolidin-1-ylpropoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Names & synonyms
SCHEMBL2872282JBRIBGRHFQGCNN-UHFFFAOYSA-Mlithium 5-(3-pyrrolidin-1-yl-propoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Database identifiers
- PubChem CID
- 68423331
Properties
Computed structural properties
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
5 records
Compound notes
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