Basic information
- Standard SMILES
CNC(=O)c1cc(N2CC3CN(C)CC3C2)ccc1[N+](=O)[O-]- InChIKey
OJXLRKMXTURZJR-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.15354051
Names & identifiers
- Preferred name
- N-methyl-5-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-2-nitrobenzamide
- IUPAC
- N-methyl-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-nitrobenzamide
Names & synonyms
SCHEMBL6890515OJXLRKMXTURZJR-UHFFFAOYSA-NN-methyl-5-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-2-nitrobenzamide
Database identifiers
- PubChem CID
- 69929569
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
Loading…