(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine

C10H6N4O6 — CID 6897752

IUPAC(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C10H6N4O6/c15-13(16)9-3-1-7(19-9)5-11-12-6-8-2-4-10(20-8)14(17)18/h1-6H/b11-5+,12-6+
InChIKeyLIELVKLOFLWIGJ-YDWXAUTNSA-N
MW278.18 g/mol
LogP2.14
Rot. Bonds5

About (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine

(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine (PubChem CID 6897752) has the molecular formula C10H6N4O6 and a molecular weight of 278.18 g/mol. Its IUPAC name is (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
PubChem CID6897752
Molecular FormulaC10H6N4O6
Molecular Weight278.18 g/mol
Exact Mass278.03
IUPAC Name(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C10H6N4O6/c15-13(16)9-3-1-7(19-9)5-11-12-6-8-2-4-10(20-8)14(17)18/h1-6H/b11-5+,12-6+
InChIKeyLIELVKLOFLWIGJ-YDWXAUTNSA-N
XLogP2.14
TPSA137.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine (CID 6897752) is (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine is O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine?
The InChIKey is LIELVKLOFLWIGJ-YDWXAUTNSA-N. The full InChI is InChI=1S/C10H6N4O6/c15-13(16)9-3-1-7(19-9)5-11-12-6-8-2-4-10(20-8)14(17)18/h1-6H/b11-5+,12-6+.
What are the key properties of (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine?
(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine has a molecular weight of 278.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine is sourced from PubChem (CID 6897752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).