2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium

C11H11N2OY- — CID 176588755

IUPAC2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium
SMILESCOc1ccc[c-]c1-c1[n-]cc[n+]1C.[Y]
InChIInChI=1S/C11H11N2O.Y/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyKZAVTHMTCYZPHR-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.94
Rot. Bonds2

About 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium

2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium (PubChem CID 176588755) has the molecular formula C11H11N2OY- and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium.

Molecular Properties

Compound Name2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium
PubChem CID176588755
Molecular FormulaC11H11N2OY-
Molecular Weight276.13 g/mol
Exact Mass275.99
IUPAC Name2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium
SMILESCOc1ccc[c-]c1-c1[n-]cc[n+]1C.[Y]
InChIInChI=1S/C11H11N2O.Y/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyKZAVTHMTCYZPHR-UHFFFAOYSA-N
XLogP0.94
TPSA27.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-fluoro-2-(7-methyl-5H-imidazo[1,2-c][1,3]oxazin-8-yl)ethenyl]methanimine
CID 177136648
7-ethenyl-8-(1-fluoroethenyl)-5H-imidazo[1,2-c][1,3]oxazine
CID 177136746
8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine
CID 177136852
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
Iridium;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole
CID 57653835
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
Iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
CID 58113404
Iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
CID 58518064
CID 58518064
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
2-(3-Bromo-4-methoxybenzene-6-id-1-yl)-1-(1-methylimidazol-2-yl)imidazole;iridium
CID 58947203
2-(4-Ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 59307395

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium?
The IUPAC name of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium (CID 176588755) is 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium.
What is the SMILES notation for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium?
The canonical SMILES for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium is COc1ccc[c-]c1-c1[n-]cc[n+]1C.[Y].
What is the InChIKey of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium?
The InChIKey is KZAVTHMTCYZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.Y/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;/h3-4,6-8H,1-2H3;/q-1;.
What are the key properties of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium?
2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium has a molecular weight of 276.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium is sourced from PubChem (CID 176588755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).