2-methoxy-1-(4-nitrophenyl)pyrrolidine

C11H14N2O3 — CID 90244532

IUPAC2-methoxy-1-(4-nitrophenyl)pyrrolidine
SMILESCOC1CCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-16-11-3-2-8-12(11)9-4-6-10(7-5-9)13(14)15/h4-7,11H,2-3,8H2,1H3
InChIKeyJDXBWCCYIXWCDI-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.17
Rot. Bonds3

About 2-methoxy-1-(4-nitrophenyl)pyrrolidine

2-methoxy-1-(4-nitrophenyl)pyrrolidine (PubChem CID 90244532) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methoxy-1-(4-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name2-methoxy-1-(4-nitrophenyl)pyrrolidine
PubChem CID90244532
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methoxy-1-(4-nitrophenyl)pyrrolidine
SMILESCOC1CCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-16-11-3-2-8-12(11)9-4-6-10(7-5-9)13(14)15/h4-7,11H,2-3,8H2,1H3
InChIKeyJDXBWCCYIXWCDI-UHFFFAOYSA-N
XLogP2.17
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

carbamoyl 1-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 91262224
(1S)-2,2,2-trifluoro-1-[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]ethanol
CID 11380715
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
CID 86073103
methyl 1-(4-nitrophenyl)aziridine-2-carboxylate
CID 11368029
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
(8R,8aR)-8-hydroxy-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99836291
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
3-methyl-1-(4-nitrophenyl)pyrazolidine
CID 140973960
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-nitrophenyl)pyrrolidine?
The IUPAC name of 2-methoxy-1-(4-nitrophenyl)pyrrolidine (CID 90244532) is 2-methoxy-1-(4-nitrophenyl)pyrrolidine.
What is the SMILES notation for 2-methoxy-1-(4-nitrophenyl)pyrrolidine?
The canonical SMILES for 2-methoxy-1-(4-nitrophenyl)pyrrolidine is COC1CCCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-1-(4-nitrophenyl)pyrrolidine?
The InChIKey is JDXBWCCYIXWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11-3-2-8-12(11)9-4-6-10(7-5-9)13(14)15/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-methoxy-1-(4-nitrophenyl)pyrrolidine?
2-methoxy-1-(4-nitrophenyl)pyrrolidine has a molecular weight of 222.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-nitrophenyl)pyrrolidine is sourced from PubChem (CID 90244532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).