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

C15H15N5O5 — CID 135599762

IUPAC(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
SMILESCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H15N5O5/c1-10(18-16-9-13-7-8-14(25-13)20(22)23)15(19-21)17-11-3-5-12(24-2)6-4-11/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-10+
InChIKeyISFLMWDJZUDJED-FRCVOOFRSA-N
MW345.32 g/mol
LogP2.70
Rot. Bonds6

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

(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide (PubChem CID 135599762) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide.

Molecular Properties

Compound Name(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
PubChem CID135599762
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
SMILESCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H15N5O5/c1-10(18-16-9-13-7-8-14(25-13)20(22)23)15(19-21)17-11-3-5-12(24-2)6-4-11/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-10+
InChIKeyISFLMWDJZUDJED-FRCVOOFRSA-N
XLogP2.70
TPSA134.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The IUPAC name of (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide (CID 135599762) is (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide.
What is the SMILES notation for (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The canonical SMILES for (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide is COc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
The InChIKey is ISFLMWDJZUDJED-FRCVOOFRSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-10(18-16-9-13-7-8-14(25-13)20(22)23)15(19-21)17-11-3-5-12(24-2)6-4-11/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-10+.
What are the key properties of (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide?
(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide has a molecular weight of 345.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide is sourced from PubChem (CID 135599762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).