3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione

C11H9NO3S — CID 14762063

IUPAC3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Sc2ccc(O)cc2)C1=O
InChIInChI=1S/C11H9NO3S/c1-12-10(14)6-9(11(12)15)16-8-4-2-7(13)3-5-8/h2-6,13H,1H3
InChIKeyKAZHPGLLOIRXSA-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.37
Rot. Bonds2

About 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione

3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione (PubChem CID 14762063) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione
PubChem CID14762063
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Sc2ccc(O)cc2)C1=O
InChIInChI=1S/C11H9NO3S/c1-12-10(14)6-9(11(12)15)16-8-4-2-7(13)3-5-8/h2-6,13H,1H3
InChIKeyKAZHPGLLOIRXSA-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione (CID 14762063) is 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(Sc2ccc(O)cc2)C1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The InChIKey is KAZHPGLLOIRXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-12-10(14)6-9(11(12)15)16-8-4-2-7(13)3-5-8/h2-6,13H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione?
3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione has a molecular weight of 235.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 14762063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).