3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium

C8H13NO2SY-2 — CID 59983896

IUPAC3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium
SMILESCSC1CC(=O)[N-]C1=O.[CH2-]CC.[Y]
InChIInChI=1S/C5H7NO2S.C3H7.Y/c1-9-3-2-4(7)6-5(3)8;1-3-2;/h3H,2H2,1H3,(H,6,7,8);1,3H2,2H3;/q;-1;/p-1
InChIKeyZIRMJLWOWANBMM-UHFFFAOYSA-M
MW276.17 g/mol
LogP1.78
Rot. Bonds1

About 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium

3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium (PubChem CID 59983896) has the molecular formula C8H13NO2SY-2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium.

Molecular Properties

Compound Name3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium
PubChem CID59983896
Molecular FormulaC8H13NO2SY-2
Molecular Weight276.17 g/mol
Exact Mass275.97
IUPAC Name3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium
SMILESCSC1CC(=O)[N-]C1=O.[CH2-]CC.[Y]
InChIInChI=1S/C5H7NO2S.C3H7.Y/c1-9-3-2-4(7)6-5(3)8;1-3-2;/h3H,2H2,1H3,(H,6,7,8);1,3H2,2H3;/q;-1;/p-1
InChIKeyZIRMJLWOWANBMM-UHFFFAOYSA-M
XLogP1.78
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.78
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

methylazanide;3-methylsulfanylpyrrolidin-1-ide-2,5-dione;yttrium
CID 58203674
imidazolidin-3-ide-2,4-dione;propane;yttrium
CID 58978220
3-methylidene-4-methylsulfanylcyclopentan-1-one
CID 134255739
1-chloro-3-methylsulfanylpyrrolidine-2,5-dione
CID 142806162
3-tert-butylpyrrolidin-1-ide-2,5-dione;2,2-dimethylpropan-1-one;yttrium
CID 176646453
3,4-dimethylpyrrolidin-1-ide-2,5-dione;yttrium
CID 59957086
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
(4R)-2-(hydroxymethyl)-3-methyl-4-methylsulfanylcyclopent-2-en-1-one
CID 146683518
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
1-(fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one
CID 123201241

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium?
The IUPAC name of 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium (CID 59983896) is 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium.
What is the SMILES notation for 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium?
The canonical SMILES for 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium is CSC1CC(=O)[N-]C1=O.[CH2-]CC.[Y].
What is the InChIKey of 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium?
The InChIKey is ZIRMJLWOWANBMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO2S.C3H7.Y/c1-9-3-2-4(7)6-5(3)8;1-3-2;/h3H,2H2,1H3,(H,6,7,8);1,3H2,2H3;/q;-1;/p-1.
What are the key properties of 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium?
3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium has a molecular weight of 276.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium is sourced from PubChem (CID 59983896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).