dimethylazanide;methyl benzoate;yttrium

C10H13NO2Y-2 — CID 59047039

IUPACdimethylazanide;methyl benzoate;yttrium
SMILESCOC(=O)c1cc[c-]cc1.C[N-]C.[Y]
InChIInChI=1S/C8H7O2.C2H6N.Y/c1-10-8(9)7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1-2H3;/q2*-1;
InChIKeyULFUEHLDFBFPHR-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.89
Rot. Bonds1

About dimethylazanide;methyl benzoate;yttrium

dimethylazanide;methyl benzoate;yttrium (PubChem CID 59047039) has the molecular formula C10H13NO2Y-2 and a molecular weight of 268.12 g/mol. Its IUPAC name is dimethylazanide;methyl benzoate;yttrium.

Molecular Properties

Compound Namedimethylazanide;methyl benzoate;yttrium
PubChem CID59047039
Molecular FormulaC10H13NO2Y-2
Molecular Weight268.12 g/mol
Exact Mass268.00
IUPAC Namedimethylazanide;methyl benzoate;yttrium
SMILESCOC(=O)c1cc[c-]cc1.C[N-]C.[Y]
InChIInChI=1S/C8H7O2.C2H6N.Y/c1-10-8(9)7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1-2H3;/q2*-1;
InChIKeyULFUEHLDFBFPHR-UHFFFAOYSA-N
XLogP1.89
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl benzoate;hydrate
CID 141218240
methyl benzoate;yttrium
CID 58542569
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
dichloroplatinum;bis(methyl pyridine-4-carboxylate)
CID 4684281
methyl 4-methylbenzoate
CID 91113291
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
CID 157228504
CID 157228504
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-methylbenzoate
CID 7455
[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
CID 135905280
zinc methyl benzoate
CID 15977761
CID 131861804
CID 131861804

Frequently Asked Questions

What is the IUPAC name of dimethylazanide;methyl benzoate;yttrium?
The IUPAC name of dimethylazanide;methyl benzoate;yttrium (CID 59047039) is dimethylazanide;methyl benzoate;yttrium.
What is the SMILES notation for dimethylazanide;methyl benzoate;yttrium?
The canonical SMILES for dimethylazanide;methyl benzoate;yttrium is COC(=O)c1cc[c-]cc1.C[N-]C.[Y].
What is the InChIKey of dimethylazanide;methyl benzoate;yttrium?
The InChIKey is ULFUEHLDFBFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2.C2H6N.Y/c1-10-8(9)7-5-3-2-4-6-7;1-3-2;/h3-6H,1H3;1-2H3;/q2*-1;.
What are the key properties of dimethylazanide;methyl benzoate;yttrium?
dimethylazanide;methyl benzoate;yttrium has a molecular weight of 268.12 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;methyl benzoate;yttrium is sourced from PubChem (CID 59047039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).