2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium

C9H6NO2Y- — CID 58775837

IUPAC2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium
SMILESCN1C(=O)c2[c-]cccc2C1=O.[Y]
InChIInChI=1S/C9H6NO2.Y/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;/h2-4H,1H3;/q-1;
InChIKeyYKARCDJNIAFIBQ-UHFFFAOYSA-N
MW249.06 g/mol
LogP0.71
Rot. Bonds

About 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium

2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium (PubChem CID 58775837) has the molecular formula C9H6NO2Y- and a molecular weight of 249.06 g/mol. Its IUPAC name is 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium.

Molecular Properties

Compound Name2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium
PubChem CID58775837
Molecular FormulaC9H6NO2Y-
Molecular Weight249.06 g/mol
Exact Mass248.95
IUPAC Name2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium
SMILESCN1C(=O)c2[c-]cccc2C1=O.[Y]
InChIInChI=1S/C9H6NO2.Y/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;/h2-4H,1H3;/q-1;
InChIKeyYKARCDJNIAFIBQ-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium?
The IUPAC name of 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium (CID 58775837) is 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium.
What is the SMILES notation for 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium?
The canonical SMILES for 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium is CN1C(=O)c2[c-]cccc2C1=O.[Y].
What is the InChIKey of 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium?
The InChIKey is YKARCDJNIAFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO2.Y/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;/h2-4H,1H3;/q-1;.
What are the key properties of 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium?
2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium has a molecular weight of 249.06 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-isoindol-4-ide-1,3-dione;yttrium is sourced from PubChem (CID 58775837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).