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

C7H9NO5S — CID 70436393

IUPAC3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione
SMILESC=CCS(=O)(=O)C1(O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO5S/c1-2-3-14(12,13)7(11)4-5(9)8-6(7)10/h2,11H,1,3-4H2,(H,8,9,10)
InChIKeyKFPMNURDTIMHTO-UHFFFAOYSA-N
MW219.22 g/mol
LogP-1.68
Rot. Bonds3

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

3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione (PubChem CID 70436393) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione
PubChem CID70436393
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Name3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione
SMILESC=CCS(=O)(=O)C1(O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO5S/c1-2-3-14(12,13)7(11)4-5(9)8-6(7)10/h2,11H,1,3-4H2,(H,8,9,10)
InChIKeyKFPMNURDTIMHTO-UHFFFAOYSA-N
XLogP-1.68
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-enylsulfonylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione (CID 70436393) is 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione is C=CCS(=O)(=O)C1(O)CC(=O)NC1=O.
What is the InChIKey of 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione?
The InChIKey is KFPMNURDTIMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c1-2-3-14(12,13)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-enylsulfonylpyrrolidine-2,5-dione?
3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione has a molecular weight of 219.22 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-prop-2-enylsulfonylpyrrolidine-2,5-dione is sourced from PubChem (CID 70436393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).