5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium

C9H8NOY- — CID 59979534

IUPAC5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium
SMILESCc1[c-]cc2c(c1)CC(=O)N2.[Y]
InChIInChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h3-4H,5H2,1H3,(H,10,11);/q-1;
InChIKeyCJENIMCWBSOSTH-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.29
Rot. Bonds

About 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium

5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium (PubChem CID 59979534) has the molecular formula C9H8NOY- and a molecular weight of 235.07 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium
PubChem CID59979534
Molecular FormulaC9H8NOY-
Molecular Weight235.07 g/mol
Exact Mass234.97
IUPAC Name5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium
SMILESCc1[c-]cc2c(c1)CC(=O)N2.[Y]
InChIInChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h3-4H,5H2,1H3,(H,10,11);/q-1;
InChIKeyCJENIMCWBSOSTH-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.29
H-Bond Donors ≤ 51
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 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium?
The IUPAC name of 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium (CID 59979534) is 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium.
What is the SMILES notation for 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium?
The canonical SMILES for 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium is Cc1[c-]cc2c(c1)CC(=O)N2.[Y].
What is the InChIKey of 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium?
The InChIKey is CJENIMCWBSOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO.Y/c1-6-2-3-8-7(4-6)5-9(11)10-8;/h3-4H,5H2,1H3,(H,10,11);/q-1;.
What are the key properties of 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium?
5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium has a molecular weight of 235.07 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium is sourced from PubChem (CID 59979534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).