(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide

C15H15N5O4 — CID 135599758

IUPAC(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
SMILESCC(=N\N=C\c1ccc([N+](=O)[O-])o1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C15H15N5O4/c1-10-3-5-12(6-4-10)17-15(19-21)11(2)18-16-9-13-7-8-14(24-13)20(22)23/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-11+
InChIKeyOXLGPNRHLTUKEA-QHWSFBBFSA-N
MW329.32 g/mol
LogP3.00
Rot. Bonds5

About (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide

(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide (PubChem CID 135599758) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide.

Molecular Properties

Compound Name(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
PubChem CID135599758
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
SMILESCC(=N\N=C\c1ccc([N+](=O)[O-])o1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C15H15N5O4/c1-10-3-5-12(6-4-10)17-15(19-21)11(2)18-16-9-13-7-8-14(24-13)20(22)23/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-11+
InChIKeyOXLGPNRHLTUKEA-QHWSFBBFSA-N
XLogP3.00
TPSA125.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The IUPAC name of (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide (CID 135599758) is (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide.
What is the SMILES notation for (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The canonical SMILES for (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide is CC(=N\N=C\c1ccc([N+](=O)[O-])o1)/C(=N/c1ccc(C)cc1)NO.
What is the InChIKey of (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The InChIKey is OXLGPNRHLTUKEA-QHWSFBBFSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-10-3-5-12(6-4-10)17-15(19-21)11(2)18-16-9-13-7-8-14(24-13)20(22)23/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-11+.
What are the key properties of (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide has a molecular weight of 329.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide is sourced from PubChem (CID 135599758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).