Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCC1CC(=O)N(CNc2ncccc2[N+](=O)[O-])C1- InChIKey
INXTVEXSZSJNHV-UHFFFAOYSA-N- Molecular formula
- C13H18N4O3
- Average molar mass
- 278.31 g/mol
Names & identifiers
- Preferred name
- 1-{[(3-Nitropyridin-2-yl)amino]methyl}-4-propylpyrrolidin-2-one
- IUPAC
- 1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
Names & synonyms
SCHEMBL6948117INXTVEXSZSJNHV-UHFFFAOYSA-N1-{[(3-nitropyridin-2-yl)amino]methyl}-4-propylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 57743017
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
8 records
Compound notes
Loading…