3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium

C8H10NO3SY- — CID 59567259

IUPAC3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium
SMILESCCSC1CC(=O)N(C[C-]=O)C1=O.[Y]
InChIInChI=1S/C8H10NO3S.Y/c1-2-13-6-5-7(11)9(3-4-10)8(6)12;/h6H,2-3,5H2,1H3;/q-1;
InChIKeyWVIPOPAJIZAWMG-UHFFFAOYSA-N
MW289.15 g/mol
LogP-0.03
Rot. Bonds4

About 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium

3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium (PubChem CID 59567259) has the molecular formula C8H10NO3SY- and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium
PubChem CID59567259
Molecular FormulaC8H10NO3SY-
Molecular Weight289.15 g/mol
Exact Mass288.94
IUPAC Name3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium
SMILESCCSC1CC(=O)N(C[C-]=O)C1=O.[Y]
InChIInChI=1S/C8H10NO3S.Y/c1-2-13-6-5-7(11)9(3-4-10)8(6)12;/h6H,2-3,5H2,1H3;/q-1;
InChIKeyWVIPOPAJIZAWMG-UHFFFAOYSA-N
XLogP-0.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium?
The IUPAC name of 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium (CID 59567259) is 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium.
What is the SMILES notation for 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium?
The canonical SMILES for 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium is CCSC1CC(=O)N(C[C-]=O)C1=O.[Y].
What is the InChIKey of 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium?
The InChIKey is WVIPOPAJIZAWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO3S.Y/c1-2-13-6-5-7(11)9(3-4-10)8(6)12;/h6H,2-3,5H2,1H3;/q-1;.
What are the key properties of 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium?
3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium has a molecular weight of 289.15 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(2-oxoethyl)pyrrolidine-2,5-dione;yttrium is sourced from PubChem (CID 59567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).