3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione

C7H9NO4S — CID 70436621

IUPAC3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione
SMILESC=CCS(=O)C1(O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO4S/c1-2-3-13(12)7(11)4-5(9)8-6(7)10/h2,11H,1,3-4H2,(H,8,9,10)
InChIKeyWVZAQEMHMFONID-UHFFFAOYSA-N
MW203.22 g/mol
LogP-1.34
Rot. Bonds3

About 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione

3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione (PubChem CID 70436621) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione
PubChem CID70436621
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione
SMILESC=CCS(=O)C1(O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO4S/c1-2-3-13(12)7(11)4-5(9)8-6(7)10/h2,11H,1,3-4H2,(H,8,9,10)
InChIKeyWVZAQEMHMFONID-UHFFFAOYSA-N
XLogP-1.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione (CID 70436621) is 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione is C=CCS(=O)C1(O)CC(=O)NC1=O.
What is the InChIKey of 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione?
The InChIKey is WVZAQEMHMFONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-2-3-13(12)7(11)4-5(9)8-6(7)10/h2,11H,1,3-4H2,(H,8,9,10).
What are the key properties of 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione?
3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione has a molecular weight of 203.22 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione is sourced from PubChem (CID 70436621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).