1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium

C11H12NOY- — CID 59708924

IUPAC1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium
SMILES[3H]C1(C)C(=O)c2c(C)c[c-]cc2N1C.[Y]
InChIInChI=1S/C11H12NO.Y/c1-7-5-4-6-9-10(7)11(13)8(2)12(9)3;/h5-6,8H,1-3H3;/q-1;/i8T;
InChIKeyKGZLONGRSOIOTI-BHDQFZNFSA-N
MW265.14 g/mol
LogP1.81
Rot. Bonds

About 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium

1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium (PubChem CID 59708924) has the molecular formula C11H12NOY- and a molecular weight of 265.14 g/mol. Its IUPAC name is 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium.

Molecular Properties

Compound Name1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium
PubChem CID59708924
Molecular FormulaC11H12NOY-
Molecular Weight265.14 g/mol
Exact Mass265.01
IUPAC Name1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium
SMILES[3H]C1(C)C(=O)c2c(C)c[c-]cc2N1C.[Y]
InChIInChI=1S/C11H12NO.Y/c1-7-5-4-6-9-10(7)11(13)8(2)12(9)3;/h5-6,8H,1-3H3;/q-1;/i8T;
InChIKeyKGZLONGRSOIOTI-BHDQFZNFSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium?
The IUPAC name of 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium (CID 59708924) is 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium.
What is the SMILES notation for 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium?
The canonical SMILES for 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium is [3H]C1(C)C(=O)c2c(C)c[c-]cc2N1C.[Y].
What is the InChIKey of 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium?
The InChIKey is KGZLONGRSOIOTI-BHDQFZNFSA-N. The full InChI is InChI=1S/C11H12NO.Y/c1-7-5-4-6-9-10(7)11(13)8(2)12(9)3;/h5-6,8H,1-3H3;/q-1;/i8T;.
What are the key properties of 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium?
1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium has a molecular weight of 265.14 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium is sourced from PubChem (CID 59708924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).