Basic information
- Standard SMILES
COc1cc([N+](=O)[O-])ccc1OCC(C)(C)N1CCCC1- InChIKey
VGCASWIYXYUVSE-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.15795719
Names & identifiers
- Preferred name
- 1-[2-(2-Methoxy-4-nitrophenoxy)-1,1-dimethylethyl]pyrrolidine
- IUPAC
- 1-[1-(2-methoxy-4-nitrophenoxy)-2-methylpropan-2-yl]pyrrolidine
Names & synonyms
SCHEMBL5254191VGCASWIYXYUVSE-UHFFFAOYSA-N1-[2-(2-Methoxy-4-nitrophenoxy)-1,1-dimethylethyl]pyrrolidine
Database identifiers
- PubChem CID
- 58980774
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
4 records
Compound notes
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