1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione

C9H15NO4S — CID 79558428

IUPAC1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione
SMILESCC(C)(CN1CCC(=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(2,15(3,13)14)6-10-5-4-7(11)8(10)12/h4-6H2,1-3H3
InChIKeyLRZXENFKWWZYOB-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.39
Rot. Bonds3

About 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione

1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione (PubChem CID 79558428) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione
PubChem CID79558428
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione
SMILESCC(C)(CN1CCC(=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-9(2,15(3,13)14)6-10-5-4-7(11)8(10)12/h4-6H2,1-3H3
InChIKeyLRZXENFKWWZYOB-UHFFFAOYSA-N
XLogP-0.39
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione (CID 79558428) is 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione is CC(C)(CN1CCC(=O)C1=O)S(C)(=O)=O.
What is the InChIKey of 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione?
The InChIKey is LRZXENFKWWZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(2,15(3,13)14)6-10-5-4-7(11)8(10)12/h4-6H2,1-3H3.
What are the key properties of 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione?
1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione has a molecular weight of 233.29 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 79558428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).