Basic information
- CAS
870888-41-8- Standard SMILES
CC1CC(c2ccc([N+](=O)[O-])c3ccccc23)C(C)N1- InChIKey
JHWKMXGPZQYMQI-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- Pyrrolidine, 2,5-dimethyl-3-(4-nitro-1-naphthalenyl)-
- IUPAC
- 2,5-dimethyl-3-(4-nitronaphthalen-1-yl)pyrrolidine
Names & synonyms
Pyrrolidine, 2,5-dimethyl-3-(4-nitro-1-naphthalenyl)-870888-41-82,5-dimethyl-3-(4-nitronaphthalen-1-yl)pyrrolidineSCHEMBL4876283DTXSID80470525
Database identifiers
- CAS
870888-41-8- PubChem CID
- 11680604
- DTXSID
DTXSID80470525
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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