1-[(3-Nitrophenyl)methyl]pyrrolidine
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Basic information
- CAS
415931-07-6- Standard SMILES
O=[N+]([O-])c1cccc(CN2CCCC2)c1- InChIKey
YLQHNPWMFVKRHS-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 1-[(3-Nitrophenyl)methyl]pyrrolidine
- IUPAC
- 1-[(3-nitrophenyl)methyl]pyrrolidine
- English name
- 1-[(3-NITROPHENYL)METHYL]PYRROLIDINE
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
1-[(3-nitrophenyl)methyl]pyrrolidine415931-07-61-(3-nitrobenzyl)pyrrolidinePyrrolidine, 1-[(3-nitrophenyl)methyl]-Cambridge id 5425199Oprea1_038591SCHEMBL9225971-(3-nitro-benzyl)-pyrrolidineYLQHNPWMFVKRHS-UHFFFAOYSA-NCS-0287229W18599AB00084950-01
Show more names
EN300-1196728SR-01000208799SR-01000208799-1
Database identifiers
- CAS
415931-07-6- PubChem CID
- 782880
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 317.2 · 317.2±17.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.20(Predicted)
Related reactions
10 records
Compound notes
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