Basic information
- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCN1C(=O)C2CC=CCC2C1=O- InChIKey
HMWHQNORRCFREZ-UHFFFAOYSA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
Names & identifiers
- Preferred name
- N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1,2,3,6-tetrahydrophthalimide
- IUPAC
- 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
SCHEMBL11870514HMWHQNORRCFREZ-UHFFFAOYSA-NN-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1,2,3,6-tetrahydrophthalimide
Database identifiers
- PubChem CID
- 21491658
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 503
Related reactions
2 records
Compound notes
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