(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide

C15H16N4O2 — CID 135599754

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCC(=N\N=C\c1ccco1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C15H16N4O2/c1-11-5-7-13(8-6-11)17-15(19-20)12(2)18-16-10-14-4-3-9-21-14/h3-10,20H,1-2H3,(H,17,19)/b16-10+,18-12+
InChIKeyZTIFZIDQJDZOIV-VKXALQBDSA-N
MW284.32 g/mol
LogP3.09
Rot. Bonds4

About (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide (PubChem CID 135599754) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
PubChem CID135599754
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCC(=N\N=C\c1ccco1)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C15H16N4O2/c1-11-5-7-13(8-6-11)17-15(19-20)12(2)18-16-10-14-4-3-9-21-14/h3-10,20H,1-2H3,(H,17,19)/b16-10+,18-12+
InChIKeyZTIFZIDQJDZOIV-VKXALQBDSA-N
XLogP3.09
TPSA82.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide (CID 135599754) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide is CC(=N\N=C\c1ccco1)/C(=N/c1ccc(C)cc1)NO.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The InChIKey is ZTIFZIDQJDZOIV-VKXALQBDSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-5-7-13(8-6-11)17-15(19-20)12(2)18-16-10-14-4-3-9-21-14/h3-10,20H,1-2H3,(H,17,19)/b16-10+,18-12+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide has a molecular weight of 284.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide is sourced from PubChem (CID 135599754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).