Basic information
- Standard SMILES
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1- InChIKey
KAORXJOPNPLLFN-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 1-(3-Nitrobenzoyl)pyrrolidine
- IUPAC
- (3-nitrophenyl)-pyrrolidin-1-ylmethanone
Names & synonyms
1-(3-nitrobenzoyl)pyrrolidine160647-67-6(3-nitrophenyl)(pyrrolidin-1-yl)methanone(3-nitrophenyl)-pyrrolidin-1-ylmethanoneOprea1_519099SCHEMBL18798073-nitrophenyl pyrrolidinyl ketoneKAORXJOPNPLLFN-UHFFFAOYSA-NMFCD00586440STK179323AKOS000499505DA-43887
Show more names
ST011226(3-nitrophenyl)-pyrrolidin-1-yl-methanoneCS-0336998SR-01000310633SR-01000310633-1Z31480145
Database identifiers
- PubChem CID
- 711523
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
4 records
Compound notes
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