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

C12H13NO3 — CID 71366695

IUPAC3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C)(c2ccc(O)cc2)C1=O
InChIInChI=1S/C12H13NO3/c1-12(7-10(15)13(2)11(12)16)8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3
InChIKeyBNWHJONOVQKBRZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.04
Rot. Bonds1

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

3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione (PubChem CID 71366695) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
PubChem CID71366695
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C)(c2ccc(O)cc2)C1=O
InChIInChI=1S/C12H13NO3/c1-12(7-10(15)13(2)11(12)16)8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3
InChIKeyBNWHJONOVQKBRZ-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.04
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)-1,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione (CID 71366695) is 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione is CN1C(=O)CC(C)(c2ccc(O)cc2)C1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is BNWHJONOVQKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(7-10(15)13(2)11(12)16)8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 71366695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).