1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione

C8H9NO4S — CID 59827394

IUPAC1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
SMILESC=CS(=O)(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyNJPKQUSIMSTSJT-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.53
Rot. Bonds4

About 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione

1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione (PubChem CID 59827394) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
PubChem CID59827394
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
SMILESC=CS(=O)(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyNJPKQUSIMSTSJT-UHFFFAOYSA-N
XLogP-0.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione (CID 59827394) is 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione is C=CS(=O)(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The InChIKey is NJPKQUSIMSTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2.
What are the key properties of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione has a molecular weight of 215.23 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 59827394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).