1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium

C10H9NWY-2 — CID 59708923

IUPAC1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C10H9N.W.Y/c1-8-4-3-5-10-9(8)6-7-11(10)2;;/h4-5,7H,1-2H3;;/q-2;;
InChIKeyRZAMCHASOXOXOP-UHFFFAOYSA-N
MW415.94 g/mol
LogP2.08
Rot. Bonds

About 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium

1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium (PubChem CID 59708923) has the molecular formula C10H9NWY-2 and a molecular weight of 415.94 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium
PubChem CID59708923
Molecular FormulaC10H9NWY-2
Molecular Weight415.94 g/mol
Exact Mass415.93
IUPAC Name1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C10H9N.W.Y/c1-8-4-3-5-10-9(8)6-7-11(10)2;;/h4-5,7H,1-2H3;;/q-2;;
InChIKeyRZAMCHASOXOXOP-UHFFFAOYSA-N
XLogP2.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium (CID 59708923) is 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium is Cc1c[c-]cc2c1[c-]cn2C.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium?
The InChIKey is RZAMCHASOXOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.W.Y/c1-8-4-3-5-10-9(8)6-7-11(10)2;;/h4-5,7H,1-2H3;;/q-2;;.
What are the key properties of 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium?
1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium has a molecular weight of 415.94 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydroindole-3,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).