2-tert-butyl-1,3-dihydroindol-3-ide;yttrium

C12H14NY- — CID 59449235

IUPAC2-tert-butyl-1,3-dihydroindol-3-ide;yttrium
SMILESCC(C)(C)c1[c-]c2ccccc2[nH]1.[Y]
InChIInChI=1S/C12H14N.Y/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;/h4-7,13H,1-3H3;/q-1;
InChIKeyJZKYBXRCRZRKMQ-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.26
Rot. Bonds

About 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium

2-tert-butyl-1,3-dihydroindol-3-ide;yttrium (PubChem CID 59449235) has the molecular formula C12H14NY- and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium.

Molecular Properties

Compound Name2-tert-butyl-1,3-dihydroindol-3-ide;yttrium
PubChem CID59449235
Molecular FormulaC12H14NY-
Molecular Weight261.16 g/mol
Exact Mass261.02
IUPAC Name2-tert-butyl-1,3-dihydroindol-3-ide;yttrium
SMILESCC(C)(C)c1[c-]c2ccccc2[nH]1.[Y]
InChIInChI=1S/C12H14N.Y/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;/h4-7,13H,1-3H3;/q-1;
InChIKeyJZKYBXRCRZRKMQ-UHFFFAOYSA-N
XLogP3.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.26
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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Related Compounds

2,3-ditert-butyl-1H-indole
CID 22374639
2-tert-butyl-3-phenyl-1H-benzimidazol-3-ium
CID 140853332
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
methanol;titanium;2,4,5-tritert-butyl-1,3-dihydropyrrol-3-ide
CID 141254052
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
2,5-ditert-butyl-1,3-dihydropyrrol-3-ide;zirconium
CID 174367992
ethane;10-methyl-9H-anthracen-9-ide;yttrium
CID 159274754
bromomethane;9H-carbazole
CID 67594562
3,4-ditert-butyl-9H-carbazole
CID 141464805
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium?
The IUPAC name of 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium (CID 59449235) is 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium.
What is the SMILES notation for 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium?
The canonical SMILES for 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium is CC(C)(C)c1[c-]c2ccccc2[nH]1.[Y].
What is the InChIKey of 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium?
The InChIKey is JZKYBXRCRZRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N.Y/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;/h4-7,13H,1-3H3;/q-1;.
What are the key properties of 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium?
2-tert-butyl-1,3-dihydroindol-3-ide;yttrium has a molecular weight of 261.16 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dihydroindol-3-ide;yttrium is sourced from PubChem (CID 59449235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).