1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium

C11H16N2OY-2 — CID 59886930

IUPAC1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium
SMILESCc1[c-]cccc1C.[CH2-]C/C(N)=N/O.[Y]
InChIInChI=1S/C8H9.C3H7N2O.Y/c1-7-5-3-4-6-8(7)2;1-2-3(4)5-6;/h3-5H,1-2H3;6H,1-2H2,(H2,4,5);/q2*-1;
InChIKeyJZYQQEOPCILYCU-UHFFFAOYSA-N
MW281.17 g/mol
LogP2.06
Rot. Bonds1

About 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium

1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium (PubChem CID 59886930) has the molecular formula C11H16N2OY-2 and a molecular weight of 281.17 g/mol. Its IUPAC name is 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium.

Molecular Properties

Compound Name1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium
PubChem CID59886930
Molecular FormulaC11H16N2OY-2
Molecular Weight281.17 g/mol
Exact Mass281.03
IUPAC Name1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium
SMILESCc1[c-]cccc1C.[CH2-]C/C(N)=N/O.[Y]
InChIInChI=1S/C8H9.C3H7N2O.Y/c1-7-5-3-4-6-8(7)2;1-2-3(4)5-6;/h3-5H,1-2H3;6H,1-2H2,(H2,4,5);/q2*-1;
InChIKeyJZYQQEOPCILYCU-UHFFFAOYSA-N
XLogP2.06
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium?
The IUPAC name of 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium (CID 59886930) is 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium.
What is the SMILES notation for 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium?
The canonical SMILES for 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium is Cc1[c-]cccc1C.[CH2-]C/C(N)=N/O.[Y].
What is the InChIKey of 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium?
The InChIKey is JZYQQEOPCILYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C3H7N2O.Y/c1-7-5-3-4-6-8(7)2;1-2-3(4)5-6;/h3-5H,1-2H3;6H,1-2H2,(H2,4,5);/q2*-1;.
What are the key properties of 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium?
1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium has a molecular weight of 281.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzene-6-ide;N'-hydroxypropanimidamide;yttrium is sourced from PubChem (CID 59886930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).