4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)

C8H9NY2-2 — CID 59475941

IUPAC4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)
SMILESC1=NC2=C(C1)C[CH-]C[CH-]2.[Y].[Y]
InChIInChI=1S/C8H9N.2Y/c1-2-4-8-7(3-1)5-6-9-8;;/h1,4,6H,2-3,5H2;;/q-2;;
InChIKeyJTEUPNQHTPVWMI-UHFFFAOYSA-N
MW296.98 g/mol
LogP1.91
Rot. Bonds

About 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)

4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium) (PubChem CID 59475941) has the molecular formula C8H9NY2-2 and a molecular weight of 296.98 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium).

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)
PubChem CID59475941
Molecular FormulaC8H9NY2-2
Molecular Weight296.98 g/mol
Exact Mass296.89
IUPAC Name4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)
SMILESC1=NC2=C(C1)C[CH-]C[CH-]2.[Y].[Y]
InChIInChI=1S/C8H9N.2Y/c1-2-4-8-7(3-1)5-6-9-8;;/h1,4,6H,2-3,5H2;;/q-2;;
InChIKeyJTEUPNQHTPVWMI-UHFFFAOYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 51.91
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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Related Compounds

3,4,5,6,7,8-Hexa-hydrocyclopenta[b]azepine
CID 129873577
4,5,6,7-tetrahydro-3H-indole
CID 20187842
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
3,4,5,6,7,8-Hexahydroquinoline
CID 53627927
3,4,5,6-Tetrahydrocyclopenta[b]pyrrole
CID 58458792
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987
4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 68209656
5-methyl-4,5,6,7-tetrahydro-3H-indole
CID 70571864
5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89185960
4-ethyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89509274
3,4-dimethylidene-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 91177477
N-(2-ethylcyclopenten-1-yl)ethanimine
CID 122526971

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)?
The IUPAC name of 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium) (CID 59475941) is 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium).
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium) is C1=NC2=C(C1)C[CH-]C[CH-]2.[Y].[Y].
What is the InChIKey of 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)?
The InChIKey is JTEUPNQHTPVWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.2Y/c1-2-4-8-7(3-1)5-6-9-8;;/h1,4,6H,2-3,5H2;;/q-2;;.
What are the key properties of 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)?
4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium) has a molecular weight of 296.98 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium) is sourced from PubChem (CID 59475941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).