[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium

C12H16N3O2+ — CID 143853294

IUPAC[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium
SMILES[H]/N=C/c1cc(CO/C=[N+](C)/C=C\N)ccc1O
InChIInChI=1S/C12H15N3O2/c1-15(5-4-13)9-17-8-10-2-3-12(16)11(6-10)7-14/h2-7,9H,8,13H2,1H3,(H-,14,16)/p+1/b5-4-,15-9+
InChIKeyUYHLOFLNWKEVDR-PFKVQKCNSA-O
MW234.28 g/mol
LogP1.01
Rot. Bonds5

About [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium

[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium (PubChem CID 143853294) has the molecular formula C12H16N3O2+ and a molecular weight of 234.28 g/mol. Its IUPAC name is [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium.

Molecular Properties

Compound Name[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium
PubChem CID143853294
Molecular FormulaC12H16N3O2+
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium
SMILES[H]/N=C/c1cc(CO/C=[N+](C)/C=C\N)ccc1O
InChIInChI=1S/C12H15N3O2/c1-15(5-4-13)9-17-8-10-2-3-12(16)11(6-10)7-14/h2-7,9H,8,13H2,1H3,(H-,14,16)/p+1/b5-4-,15-9+
InChIKeyUYHLOFLNWKEVDR-PFKVQKCNSA-O
XLogP1.01
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium?
The IUPAC name of [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium (CID 143853294) is [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium.
What is the SMILES notation for [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium?
The canonical SMILES for [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium is [H]/N=C/c1cc(CO/C=[N+](C)/C=C\N)ccc1O.
What is the InChIKey of [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium?
The InChIKey is UYHLOFLNWKEVDR-PFKVQKCNSA-O. The full InChI is InChI=1S/C12H15N3O2/c1-15(5-4-13)9-17-8-10-2-3-12(16)11(6-10)7-14/h2-7,9H,8,13H2,1H3,(H-,14,16)/p+1/b5-4-,15-9+.
What are the key properties of [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium?
[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium has a molecular weight of 234.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium is sourced from PubChem (CID 143853294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).