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

C10H9NO3 — CID 16731966

IUPAC3-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C10H9NO3/c12-7-3-1-6(2-4-7)8-5-9(13)11-10(8)14/h1-4,8,12H,5H2,(H,11,13,14)
InChIKeyHFKWGSAUBYZFSE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.52
Rot. Bonds1

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

3-(4-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 16731966) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID16731966
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C10H9NO3/c12-7-3-1-6(2-4-7)8-5-9(13)11-10(8)14/h1-4,8,12H,5H2,(H,11,13,14)
InChIKeyHFKWGSAUBYZFSE-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione (CID 16731966) is 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1CC(c2ccc(O)cc2)C(=O)N1.
What is the InChIKey of 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is HFKWGSAUBYZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-3-1-6(2-4-7)8-5-9(13)11-10(8)14/h1-4,8,12H,5H2,(H,11,13,14).
What are the key properties of 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(4-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 191.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 16731966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).