1-[2-(3-Methoxy-4-nitrophenyl)ethyl]pyrrolidine
Basic information
- Standard SMILES
COc1cc(CCN2CCCC2)ccc1[N+](=O)[O-]- InChIKey
FXTOUBWTWSIXOT-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 1-[2-(3-Methoxy-4-nitrophenyl)ethyl]pyrrolidine
- IUPAC
- 1-[2-(3-methoxy-4-nitrophenyl)ethyl]pyrrolidine
Names & synonyms
SCHEMBL2228868FXTOUBWTWSIXOT-UHFFFAOYSA-N1-[2-(3-methoxy-4-nitrophenyl)ethyl]pyrrolidine
Database identifiers
- PubChem CID
- 67325946
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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