3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione

C15H16N2O4 — CID 167439219

IUPAC3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(O)C=C(c3ccccc3)C2O)C(=O)N1
InChIInChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)16-12)17-13(19)8-10(15(17)21)9-4-2-1-3-5-9/h1-5,8,11,13,15,19,21H,6-7H2,(H,16,18,20)
InChIKeyLBXLGXGWXOJWFO-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.17
Rot. Bonds2

About 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione

3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione (PubChem CID 167439219) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione
PubChem CID167439219
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(O)C=C(c3ccccc3)C2O)C(=O)N1
InChIInChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)16-12)17-13(19)8-10(15(17)21)9-4-2-1-3-5-9/h1-5,8,11,13,15,19,21H,6-7H2,(H,16,18,20)
InChIKeyLBXLGXGWXOJWFO-UHFFFAOYSA-N
XLogP-0.17
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
CID 170693844
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione
CID 170614983
3-[6-(3-methyl-5-phenylpyrazol-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241091
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione (CID 167439219) is 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione is O=C1CCC(N2C(O)C=C(c3ccccc3)C2O)C(=O)N1.
What is the InChIKey of 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione?
The InChIKey is LBXLGXGWXOJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)16-12)17-13(19)8-10(15(17)21)9-4-2-1-3-5-9/h1-5,8,11,13,15,19,21H,6-7H2,(H,16,18,20).
What are the key properties of 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione?
3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 167439219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).