(3S)-3-(2-nitrophenyl)pyrrolidine

C10H12N2O2 — CID 95436908

IUPAC(3S)-3-(2-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-4-2-1-3-9(10)8-5-6-11-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1
InChIKeyPCJGXIRZPSIJGH-MRVPVSSYSA-N
MW192.22 g/mol
LogP1.67
Rot. Bonds2

About (3S)-3-(2-nitrophenyl)pyrrolidine

(3S)-3-(2-nitrophenyl)pyrrolidine (PubChem CID 95436908) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3S)-3-(2-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-nitrophenyl)pyrrolidine
PubChem CID95436908
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3S)-3-(2-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-4-2-1-3-9(10)8-5-6-11-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1
InChIKeyPCJGXIRZPSIJGH-MRVPVSSYSA-N
XLogP1.67
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-(2,4-dinitrophenyl)piperidine
CID 15925829
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
CID 130039488
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
1-[4-(2-nitrophenyl)cyclohexyl]ethanone
CID 66545564
(1S,2S,4R)-2-(2-nitrophenyl)bicyclo[2.2.1]heptan-7-one
CID 10513686
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
4-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
CID 154828530
2-(2-nitrophenyl)cyclohexan-1-ol
CID 82242231

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-nitrophenyl)pyrrolidine?
The IUPAC name of (3S)-3-(2-nitrophenyl)pyrrolidine (CID 95436908) is (3S)-3-(2-nitrophenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2-nitrophenyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2-nitrophenyl)pyrrolidine is O=[N+]([O-])c1ccccc1[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(2-nitrophenyl)pyrrolidine?
The InChIKey is PCJGXIRZPSIJGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)10-4-2-1-3-9(10)8-5-6-11-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1.
What are the key properties of (3S)-3-(2-nitrophenyl)pyrrolidine?
(3S)-3-(2-nitrophenyl)pyrrolidine has a molecular weight of 192.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-nitrophenyl)pyrrolidine is sourced from PubChem (CID 95436908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).