3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione

C11H11NO3 — CID 71381017

IUPAC3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H11NO3/c1-12-10(14)6-9(11(12)15)7-2-4-8(13)5-3-7/h2-5,9,13H,6H2,1H3
InChIKeyVDKARDFDKODJSI-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.86
Rot. Bonds1

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

3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 71381017) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID71381017
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H11NO3/c1-12-10(14)6-9(11(12)15)7-2-4-8(13)5-3-7/h2-5,9,13H,6H2,1H3
InChIKeyVDKARDFDKODJSI-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.86
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 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 71381017) is 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(c2ccc(O)cc2)C1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is VDKARDFDKODJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-10(14)6-9(11(12)15)7-2-4-8(13)5-3-7/h2-5,9,13H,6H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 71381017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).