2-methanidyl-5-methyl-1H-indole;yttrium

C10H10NY- — CID 59004658

IUPAC2-methanidyl-5-methyl-1H-indole;yttrium
SMILES[CH2-]c1cc2cc(C)ccc2[nH]1.[Y]
InChIInChI=1S/C10H10N.Y/c1-7-3-4-10-9(5-7)6-8(2)11-10;/h3-6,11H,2H2,1H3;/q-1;
InChIKeyQPGCBYALEWAKCX-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.66
Rot. Bonds

About 2-methanidyl-5-methyl-1H-indole;yttrium

2-methanidyl-5-methyl-1H-indole;yttrium (PubChem CID 59004658) has the molecular formula C10H10NY- and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-methanidyl-5-methyl-1H-indole;yttrium.

Molecular Properties

Compound Name2-methanidyl-5-methyl-1H-indole;yttrium
PubChem CID59004658
Molecular FormulaC10H10NY-
Molecular Weight233.10 g/mol
Exact Mass232.99
IUPAC Name2-methanidyl-5-methyl-1H-indole;yttrium
SMILES[CH2-]c1cc2cc(C)ccc2[nH]1.[Y]
InChIInChI=1S/C10H10N.Y/c1-7-3-4-10-9(5-7)6-8(2)11-10;/h3-6,11H,2H2,1H3;/q-1;
InChIKeyQPGCBYALEWAKCX-UHFFFAOYSA-N
XLogP2.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 2-methanidyl-5-methyl-1H-indole;yttrium?
The IUPAC name of 2-methanidyl-5-methyl-1H-indole;yttrium (CID 59004658) is 2-methanidyl-5-methyl-1H-indole;yttrium.
What is the SMILES notation for 2-methanidyl-5-methyl-1H-indole;yttrium?
The canonical SMILES for 2-methanidyl-5-methyl-1H-indole;yttrium is [CH2-]c1cc2cc(C)ccc2[nH]1.[Y].
What is the InChIKey of 2-methanidyl-5-methyl-1H-indole;yttrium?
The InChIKey is QPGCBYALEWAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N.Y/c1-7-3-4-10-9(5-7)6-8(2)11-10;/h3-6,11H,2H2,1H3;/q-1;.
What are the key properties of 2-methanidyl-5-methyl-1H-indole;yttrium?
2-methanidyl-5-methyl-1H-indole;yttrium has a molecular weight of 233.10 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-5-methyl-1H-indole;yttrium is sourced from PubChem (CID 59004658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).