3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

C17H16N2O3 — CID 19163644

IUPAC3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Nc3ccc(O)cc3)C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-11-3-2-4-13(9-11)19-16(21)10-15(17(19)22)18-12-5-7-14(20)8-6-12/h2-9,15,18,20H,10H2,1H3
InChIKeyCLORSYOEAGDTMM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.44
Rot. Bonds3

About 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 19163644) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID19163644
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Nc3ccc(O)cc3)C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-11-3-2-4-13(9-11)19-16(21)10-15(17(19)22)18-12-5-7-14(20)8-6-12/h2-9,15,18,20H,10H2,1H3
InChIKeyCLORSYOEAGDTMM-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 19163644) is 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(Nc3ccc(O)cc3)C2=O)c1.
What is the InChIKey of 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is CLORSYOEAGDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-3-2-4-13(9-11)19-16(21)10-15(17(19)22)18-12-5-7-14(20)8-6-12/h2-9,15,18,20H,10H2,1H3.
What are the key properties of 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19163644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).