5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide

C10H6N4O7 — CID 46911332

IUPAC5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N4O7/c15-10(7-2-4-9(21-7)14(18)19)12-11-5-6-1-3-8(20-6)13(16)17/h1-5H,(H,12,15)/b11-5+
InChIKeyYVFZVNMFYWONHI-VZUCSPMQSA-N
MW294.18 g/mol
LogP1.45
Rot. Bonds5

About 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide

5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 46911332) has the molecular formula C10H6N4O7 and a molecular weight of 294.18 g/mol. Its IUPAC name is 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID46911332
Molecular FormulaC10H6N4O7
Molecular Weight294.18 g/mol
Exact Mass294.02
IUPAC Name5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N4O7/c15-10(7-2-4-9(21-7)14(18)19)12-11-5-6-1-3-8(20-6)13(16)17/h1-5H,(H,12,15)/b11-5+
InChIKeyYVFZVNMFYWONHI-VZUCSPMQSA-N
XLogP1.45
TPSA154.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
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 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide (CID 46911332) is 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is YVFZVNMFYWONHI-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H6N4O7/c15-10(7-2-4-9(21-7)14(18)19)12-11-5-6-1-3-8(20-6)13(16)17/h1-5H,(H,12,15)/b11-5+.
What are the key properties of 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide?
5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 294.18 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 46911332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).