4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione

C10H7NO4 — CID 91446526

IUPAC4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(c2ccc(O)cc2)C1=O
InChIInChI=1S/C10H7NO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11-9(7)14/h1-4,7,12H,(H,11,14,15)
InChIKeyKAFLGFBIPAJXJT-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.30
Rot. Bonds1

About 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione

4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione (PubChem CID 91446526) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
PubChem CID91446526
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(c2ccc(O)cc2)C1=O
InChIInChI=1S/C10H7NO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11-9(7)14/h1-4,7,12H,(H,11,14,15)
InChIKeyKAFLGFBIPAJXJT-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione?
The IUPAC name of 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione (CID 91446526) is 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione.
What is the SMILES notation for 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione?
The canonical SMILES for 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione is O=C1NC(=O)C(c2ccc(O)cc2)C1=O.
What is the InChIKey of 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione?
The InChIKey is KAFLGFBIPAJXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11-9(7)14/h1-4,7,12H,(H,11,14,15).
What are the key properties of 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione?
4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione has a molecular weight of 205.17 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione is sourced from PubChem (CID 91446526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).