(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine

C11H14N2O3 — CID 66519478

IUPAC(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
SMILESCOc1ccc([N+](=O)[O-])cc1[C@H]1CCCN1
InChIInChI=1S/C11H14N2O3/c1-16-11-5-4-8(13(14)15)7-9(11)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyZTQGYPDNNSOMQW-SNVBAGLBSA-N
MW222.24 g/mol
LogP2.03
Rot. Bonds3

About (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine

(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine (PubChem CID 66519478) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
PubChem CID66519478
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
SMILESCOc1ccc([N+](=O)[O-])cc1[C@H]1CCCN1
InChIInChI=1S/C11H14N2O3/c1-16-11-5-4-8(13(14)15)7-9(11)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyZTQGYPDNNSOMQW-SNVBAGLBSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-methoxy-4-nitro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 171196587
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine
CID 67692652
2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
(2S)-2-(4,5-dimethoxy-2-nitrophenyl)piperidine;hydrochloride
CID 171195180
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2-(2,4-dinitrophenyl)azepane
CID 57177004
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine (CID 66519478) is (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine is COc1ccc([N+](=O)[O-])cc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine?
The InChIKey is ZTQGYPDNNSOMQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11-5-4-8(13(14)15)7-9(11)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine?
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine has a molecular weight of 222.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine is sourced from PubChem (CID 66519478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).