(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride

C8H11ClN2O2 — CID 170909380

IUPAC(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride
SMILESCOc1ccc(/C(N)=[NH+]/O)cc1.[Cl-]
InChIInChI=1S/C8H10N2O2.ClH/c1-12-7-4-2-6(3-5-7)8(9)10-11;/h2-5,11H,1H3,(H2,9,10);1H
InChIKeyFYEMGVMENPLKSM-UHFFFAOYSA-N
MW202.64 g/mol
LogP-4.13
Rot. Bonds2

About (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride

(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride (PubChem CID 170909380) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride.

Molecular Properties

Compound Name(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride
PubChem CID170909380
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride
SMILESCOc1ccc(/C(N)=[NH+]/O)cc1.[Cl-]
InChIInChI=1S/C8H10N2O2.ClH/c1-12-7-4-2-6(3-5-7)8(9)10-11;/h2-5,11H,1H3,(H2,9,10);1H
InChIKeyFYEMGVMENPLKSM-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 ≤ 500202.64
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide
CID 135850192
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
CID 12714057
CID 12714057
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 54609840
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808

Frequently Asked Questions

What is the IUPAC name of (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride?
The IUPAC name of (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride (CID 170909380) is (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride.
What is the SMILES notation for (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride?
The canonical SMILES for (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride is COc1ccc(/C(N)=[NH+]/O)cc1.[Cl-].
What is the InChIKey of (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride?
The InChIKey is FYEMGVMENPLKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/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 (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride?
(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride has a molecular weight of 202.64 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 (Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride is sourced from PubChem (CID 170909380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).