[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride

C13H20ClN3O2 — CID 54609722

IUPAC[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
SMILESCOc1ccccc1/C=N\NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H19N3O2.ClH/c1-16(2,3)10-13(17)15-14-9-11-7-5-6-8-12(11)18-4;/h5-9H,10H2,1-4H3;1H/b14-9-;
InChIKeyVQTJOQCDPHUIEK-WQRRWHLMSA-N
MW285.78 g/mol
LogP-2.14
Rot. Bonds5

About [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride

[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride (PubChem CID 54609722) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
PubChem CID54609722
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
SMILESCOc1ccccc1/C=N\NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H19N3O2.ClH/c1-16(2,3)10-13(17)15-14-9-11-7-5-6-8-12(11)18-4;/h5-9H,10H2,1-4H3;1H/b14-9-;
InChIKeyVQTJOQCDPHUIEK-WQRRWHLMSA-N
XLogP-2.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424345
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358

Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The IUPAC name of [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride (CID 54609722) is [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The canonical SMILES for [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride is COc1ccccc1/C=N\NC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The InChIKey is VQTJOQCDPHUIEK-WQRRWHLMSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-16(2,3)10-13(17)15-14-9-11-7-5-6-8-12(11)18-4;/h5-9H,10H2,1-4H3;1H/b14-9-;.
What are the key properties of [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride has a molecular weight of 285.78 g/mol, XLogP of -2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride is sourced from PubChem (CID 54609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).