Pyridinium, 3-(aminocarbonyl)-1-ethyl-
Basic information
- CAS
71413-64-4- Standard SMILES
CC[n+]1cccc(C(N)=O)c1- InChIKey
MPKRPVGFHWRJNN-UHFFFAOYSA-O- Molecular formula
- C8H11N2O+
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.08713798
Names & identifiers
- Preferred name
- Pyridinium, 3-(aminocarbonyl)-1-ethyl-
- IUPAC
- 1-ethylpyridin-1-ium-3-carboxamide
Names & synonyms
Pyridinium, 3-(aminocarbonyl)-1-ethyl-71413-64-4SCHEMBL677578SCHEMBL9477898SCHEMBL9811156DTXSID102758033-CARBAMOYL-1-ETHYLPYRIDIN-1-IUM
Database identifiers
- CAS
71413-64-4- PubChem CID
- 84547
- DTXSID
DTXSID10275803- Nikkaji
- J723.266G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 147
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Related reactions
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Compound notes
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