3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium

C13H21NO3Y-2 — CID 176646453

IUPAC3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium
SMILESCC(C)(C)C1CC(=O)[N-]C1=O.CC(C)(C)[C-]=O.[Y]
InChIInChI=1S/C8H13NO2.C5H9O.Y/c1-8(2,3)5-4-6(10)9-7(5)11;1-5(2,3)4-6;/h5H,4H2,1-3H3,(H,9,10,11);1-3H3;/q;-1;/p-1
InChIKeyIKNLGYCZMKRZFF-UHFFFAOYSA-M
MW328.22 g/mol
LogP2.62
Rot. Bonds

About 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium

3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium (PubChem CID 176646453) has the molecular formula C13H21NO3Y-2 and a molecular weight of 328.22 g/mol. Its IUPAC name is 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium.

Molecular Properties

Compound Name3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium
PubChem CID176646453
Molecular FormulaC13H21NO3Y-2
Molecular Weight328.22 g/mol
Exact Mass328.06
IUPAC Name3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium
SMILESCC(C)(C)C1CC(=O)[N-]C1=O.CC(C)(C)[C-]=O.[Y]
InChIInChI=1S/C8H13NO2.C5H9O.Y/c1-8(2,3)5-4-6(10)9-7(5)11;1-5(2,3)4-6;/h5H,4H2,1-3H3,(H,9,10,11);1-3H3;/q;-1;/p-1
InChIKeyIKNLGYCZMKRZFF-UHFFFAOYSA-M
XLogP2.62
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 58203674
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CID 59983896
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3-tert-butyloxolane-2,5-dione
CID 10820811
3-tert-butylpyrrolidin-2-one
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CID 131997974
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium
CID 147380482
2,4,6-tritert-butylcyclohexan-1-one
CID 12772252
(5S)-3,5-ditert-butyloxane-2,6-dione
CID 89331344
4-tert-butyl-3-hydroxycyclopent-2-en-1-one
CID 89308253
2-tert-butyl-4-chloro-2,3-dihydroinden-1-one
CID 22172900

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium?
The IUPAC name of 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium (CID 176646453) is 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium.
What is the SMILES notation for 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium?
The canonical SMILES for 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium is CC(C)(C)C1CC(=O)[N-]C1=O.CC(C)(C)[C-]=O.[Y].
What is the InChIKey of 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium?
The InChIKey is IKNLGYCZMKRZFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO2.C5H9O.Y/c1-8(2,3)5-4-6(10)9-7(5)11;1-5(2,3)4-6;/h5H,4H2,1-3H3,(H,9,10,11);1-3H3;/q;-1;/p-1.
What are the key properties of 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium?
3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium has a molecular weight of 328.22 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium is sourced from PubChem (CID 176646453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).