Basic information
- Standard SMILES
CC(C)CN1C(=O)C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O- InChIKey
MEQDDINDERSLJH-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
Names & identifiers
- Preferred name
- 3-Isobutyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
- IUPAC
- 3-(2-methylpropyl)-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
Names & synonyms
SCHEMBL10350802MEQDDINDERSLJH-UHFFFAOYSA-N3-isobutyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]-heptane-2,4-dione3-isobutyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
Database identifiers
- PubChem CID
- 14872630
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
8 records
Linked notes
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