(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide

C8H11IN2O2 — CID 135850192

IUPAC(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide
SMILESCOc1ccc(/C(N)=[NH+]\O)cc1.[I-]
InChIInChI=1S/C8H10N2O2.HI/c1-12-7-4-2-6(3-5-7)8(9)10-11;/h2-5,11H,1H3,(H2,9,10);1H
InChIKeyPFULXZZYCIRTFE-UHFFFAOYSA-N
MW294.09 g/mol
LogP-4.13
Rot. Bonds2

About (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide

(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide (PubChem CID 135850192) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide.

Molecular Properties

Compound Name(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide
PubChem CID135850192
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide
SMILESCOc1ccc(/C(N)=[NH+]\O)cc1.[I-]
InChIInChI=1S/C8H10N2O2.HI/c1-12-7-4-2-6(3-5-7)8(9)10-11;/h2-5,11H,1H3,(H2,9,10);1H
InChIKeyPFULXZZYCIRTFE-UHFFFAOYSA-N
XLogP-4.13
TPSA69.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 5-4.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride
CID 170909380
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
CID 12714057
CID 12714057
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 54609840
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818

Frequently Asked Questions

What is the IUPAC name of (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide?
The IUPAC name of (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide (CID 135850192) is (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide.
What is the SMILES notation for (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide?
The canonical SMILES for (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide is COc1ccc(/C(N)=[NH+]\O)cc1.[I-].
What is the InChIKey of (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide?
The InChIKey is PFULXZZYCIRTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.HI/c1-12-7-4-2-6(3-5-7)8(9)10-11;/h2-5,11H,1H3,(H2,9,10);1H.
What are the key properties of (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide?
(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide has a molecular weight of 294.09 g/mol, XLogP of -4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide is sourced from PubChem (CID 135850192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).