N-(2,3-dihydro-1H-inden-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
Basic information
- CAS
450351-31-2- Standard SMILES
O=C(NC1Cc2ccccc2C1)c1ccc[n+]([O-])c1- InChIKey
RCTBIIJXJPHGKB-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1H-inden-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
- IUPAC
- N-(2,3-dihydro-1H-inden-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
- English name
- 3-Pyridinecarboxamide,N-(2,3-dihydro-1H-inden-2-yl)-,1-oxide(9CI)
- Molecular formula
- C15H14N2O2
- Molecular weight
- 0
Names & synonyms
3-Pyridinecarboxamide,N-(2,3-dihydro-1H-inden-2-yl)-,1-oxide(9CI)
Database identifiers
- CAS
450351-31-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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