3-[2-(4-nitrophenyl)ethoxy]azetidine

C11H14N2O3 — CID 63106099

IUPAC3-[2-(4-nitrophenyl)ethoxy]azetidine
SMILESO=[N+]([O-])c1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C11H14N2O3/c14-13(15)10-3-1-9(2-4-10)5-6-16-11-7-12-8-11/h1-4,11-12H,5-8H2
InChIKeyXJEXUXUSVIHLMU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.13
Rot. Bonds5

About 3-[2-(4-nitrophenyl)ethoxy]azetidine

3-[2-(4-nitrophenyl)ethoxy]azetidine (PubChem CID 63106099) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[2-(4-nitrophenyl)ethoxy]azetidine.

Molecular Properties

Compound Name3-[2-(4-nitrophenyl)ethoxy]azetidine
PubChem CID63106099
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[2-(4-nitrophenyl)ethoxy]azetidine
SMILESO=[N+]([O-])c1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C11H14N2O3/c14-13(15)10-3-1-9(2-4-10)5-6-16-11-7-12-8-11/h1-4,11-12H,5-8H2
InChIKeyXJEXUXUSVIHLMU-UHFFFAOYSA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.13
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

(2S)-2-[(4-nitrophenyl)methyl]aziridine
CID 89033647
3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
CID 62357182
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
3-[(2-bromo-4-nitrophenyl)methoxy]azetidine
CID 63106271
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
2-methyl-6-[(4-nitrophenyl)methyl]morpholine
CID 82291579
8-[(4-nitrophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 70436080
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
3-(4-nitrophenyl)propanoate
CID 6923582
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-nitrophenyl)ethoxy]azetidine?
The IUPAC name of 3-[2-(4-nitrophenyl)ethoxy]azetidine (CID 63106099) is 3-[2-(4-nitrophenyl)ethoxy]azetidine.
What is the SMILES notation for 3-[2-(4-nitrophenyl)ethoxy]azetidine?
The canonical SMILES for 3-[2-(4-nitrophenyl)ethoxy]azetidine is O=[N+]([O-])c1ccc(CCOC2CNC2)cc1.
What is the InChIKey of 3-[2-(4-nitrophenyl)ethoxy]azetidine?
The InChIKey is XJEXUXUSVIHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-13(15)10-3-1-9(2-4-10)5-6-16-11-7-12-8-11/h1-4,11-12H,5-8H2.
What are the key properties of 3-[2-(4-nitrophenyl)ethoxy]azetidine?
3-[2-(4-nitrophenyl)ethoxy]azetidine has a molecular weight of 222.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-nitrophenyl)ethoxy]azetidine is sourced from PubChem (CID 63106099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).