3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione

C10H9NO2 — CID 154731471

IUPAC3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
SMILES[2H]c1c([2H])c([2H])c(C2CC(=O)NC2=O)c([2H])c1[2H]
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/i1D,2D,3D,4D,5D
InChIKeyFVSWNQYFMNGPLF-RALIUCGRSA-N
MW180.22 g/mol
LogP0.82
Rot. Bonds1

About 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione

3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione (PubChem CID 154731471) has the molecular formula C10H9NO2 and a molecular weight of 180.22 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
PubChem CID154731471
Molecular FormulaC10H9NO2
Molecular Weight180.22 g/mol
Exact Mass180.09
IUPAC Name3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
SMILES[2H]c1c([2H])c([2H])c(C2CC(=O)NC2=O)c([2H])c1[2H]
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/i1D,2D,3D,4D,5D
InChIKeyFVSWNQYFMNGPLF-RALIUCGRSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione (CID 154731471) is 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione is [2H]c1c([2H])c([2H])c(C2CC(=O)NC2=O)c([2H])c1[2H].
What is the InChIKey of 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione?
The InChIKey is FVSWNQYFMNGPLF-RALIUCGRSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/i1D,2D,3D,4D,5D.
What are the key properties of 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione?
3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione has a molecular weight of 180.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 154731471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).