(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine

C11H14N2O2 — CID 66519018

IUPAC(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O2/c1-8-4-5-9(10-3-2-6-12-10)11(7-8)13(14)15/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyLBFHWWJMPOSRKL-SNVBAGLBSA-N
MW206.25 g/mol
LogP2.33
Rot. Bonds2

About (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine

(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine (PubChem CID 66519018) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
PubChem CID66519018
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O2/c1-8-4-5-9(10-3-2-6-12-10)11(7-8)13(14)15/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyLBFHWWJMPOSRKL-SNVBAGLBSA-N
XLogP2.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.33
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

(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(2,4-dinitrophenyl)azepane
CID 57177004
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
(2S)-2-(4,5-dimethoxy-2-nitrophenyl)piperidine;hydrochloride
CID 171195180
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine (CID 66519018) is (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine is Cc1ccc([C@H]2CCCN2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine?
The InChIKey is LBFHWWJMPOSRKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-4-5-9(10-3-2-6-12-10)11(7-8)13(14)15/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine?
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine has a molecular weight of 206.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine is sourced from PubChem (CID 66519018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).