1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

C10H9NO3 — CID 6951385

IUPAC1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(O)c1
InChIInChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2
InChIKeyJKQLQZKMBVUJCI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.05
Rot. Bonds1

About 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 6951385) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID6951385
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(O)c1
InChIInChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2
InChIKeyJKQLQZKMBVUJCI-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
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 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (CID 6951385) is 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is JKQLQZKMBVUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2.
What are the key properties of 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 191.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6951385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).