Basic information
- Standard SMILES
CNC(=O)c1cc(N2CC3CNCC3C2)ccc1[N+](=O)[O-]- InChIKey
SDYSYAOAMGRABT-UHFFFAOYSA-N- Molecular formula
- C14H18N4O3
- Average molar mass
- 290.32 g/mol
Names & identifiers
- Preferred name
- 5-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-N-methyl-2-nitrobenzamide
- IUPAC
- 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-nitrobenzamide
Names & synonyms
SCHEMBL6888004SDYSYAOAMGRABT-UHFFFAOYSA-N5-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-N-methyl-2-nitrobenzamide
Database identifiers
- PubChem CID
- 69928757
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Related reactions
1 records
Compound notes
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