(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium

C10H11N2O2+ — CID 102462050

IUPAC(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium
SMILESCOC(O)=C=[N+]=Nc1ccc(C)cc1
InChIInChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3/p+1
InChIKeyPBDLLNPRDVQXAN-UHFFFAOYSA-O
MW191.21 g/mol
LogP2.00
Rot. Bonds2

About (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium

(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium (PubChem CID 102462050) has the molecular formula C10H11N2O2+ and a molecular weight of 191.21 g/mol. Its IUPAC name is (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium.

Molecular Properties

Compound Name(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium
PubChem CID102462050
Molecular FormulaC10H11N2O2+
Molecular Weight191.21 g/mol
Exact Mass191.08
IUPAC Name(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium
SMILESCOC(O)=C=[N+]=Nc1ccc(C)cc1
InChIInChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3/p+1
InChIKeyPBDLLNPRDVQXAN-UHFFFAOYSA-O
XLogP2.00
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium?
The IUPAC name of (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium (CID 102462050) is (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium.
What is the SMILES notation for (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium?
The canonical SMILES for (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium is COC(O)=C=[N+]=Nc1ccc(C)cc1.
What is the InChIKey of (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium?
The InChIKey is PBDLLNPRDVQXAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3/p+1.
What are the key properties of (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium?
(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium has a molecular weight of 191.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium is sourced from PubChem (CID 102462050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).