3-[(5-nitrofuran-2-yl)methoxy]aniline

C11H10N2O4 — CID 54908843

IUPAC3-[(5-nitrofuran-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H10N2O4/c12-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)13(14)15/h1-6H,7,12H2
InChIKeyBNUSHFVTDVZUJQ-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.35
Rot. Bonds4

About 3-[(5-nitrofuran-2-yl)methoxy]aniline

3-[(5-nitrofuran-2-yl)methoxy]aniline (PubChem CID 54908843) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[(5-nitrofuran-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(5-nitrofuran-2-yl)methoxy]aniline
PubChem CID54908843
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-[(5-nitrofuran-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H10N2O4/c12-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)13(14)15/h1-6H,7,12H2
InChIKeyBNUSHFVTDVZUJQ-UHFFFAOYSA-N
XLogP2.35
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitrofuran-2-yl)methoxy]aniline?
The IUPAC name of 3-[(5-nitrofuran-2-yl)methoxy]aniline (CID 54908843) is 3-[(5-nitrofuran-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(5-nitrofuran-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(5-nitrofuran-2-yl)methoxy]aniline is Nc1cccc(OCc2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of 3-[(5-nitrofuran-2-yl)methoxy]aniline?
The InChIKey is BNUSHFVTDVZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c12-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)13(14)15/h1-6H,7,12H2.
What are the key properties of 3-[(5-nitrofuran-2-yl)methoxy]aniline?
3-[(5-nitrofuran-2-yl)methoxy]aniline has a molecular weight of 234.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitrofuran-2-yl)methoxy]aniline is sourced from PubChem (CID 54908843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).