2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium

C10H10NOY- — CID 59758692

IUPAC2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
SMILESCC1N=C2C=[C-]C(=O)C=C2C1C.[Y]
InChIInChI=1S/C10H10NO.Y/c1-6-7(2)11-10-4-3-8(12)5-9(6)10;/h4-7H,1-2H3;/q-1;
InChIKeyLYMFKINJESCENG-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.33
Rot. Bonds

About 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium

2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium (PubChem CID 59758692) has the molecular formula C10H10NOY- and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium.

Molecular Properties

Compound Name2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
PubChem CID59758692
Molecular FormulaC10H10NOY-
Molecular Weight249.10 g/mol
Exact Mass248.98
IUPAC Name2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
SMILESCC1N=C2C=[C-]C(=O)C=C2C1C.[Y]
InChIInChI=1S/C10H10NO.Y/c1-6-7(2)11-10-4-3-8(12)5-9(6)10;/h4-7H,1-2H3;/q-1;
InChIKeyLYMFKINJESCENG-UHFFFAOYSA-N
XLogP1.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;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 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium?
The IUPAC name of 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium (CID 59758692) is 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium.
What is the SMILES notation for 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium?
The canonical SMILES for 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium is CC1N=C2C=[C-]C(=O)C=C2C1C.[Y].
What is the InChIKey of 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium?
The InChIKey is LYMFKINJESCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO.Y/c1-6-7(2)11-10-4-3-8(12)5-9(6)10;/h4-7H,1-2H3;/q-1;.
What are the key properties of 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium?
2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium has a molecular weight of 249.10 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium is sourced from PubChem (CID 59758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).