ethanone;pyrrol-1-ide-2,5-dione;yttrium

C6H5NO3Y-2 — CID 59710638

IUPACethanone;pyrrol-1-ide-2,5-dione;yttrium
SMILESC[C-]=O.O=C1C=CC(=O)[N-]1.[Y]
InChIInChI=1S/C4H3NO2.C2H3O.Y/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1
InChIKeyLLTCXCVDZVMGCV-UHFFFAOYSA-M
MW228.02 g/mol
LogP0.10
Rot. Bonds

About ethanone;pyrrol-1-ide-2,5-dione;yttrium

ethanone;pyrrol-1-ide-2,5-dione;yttrium (PubChem CID 59710638) has the molecular formula C6H5NO3Y-2 and a molecular weight of 228.02 g/mol. Its IUPAC name is ethanone;pyrrol-1-ide-2,5-dione;yttrium.

Molecular Properties

Compound Nameethanone;pyrrol-1-ide-2,5-dione;yttrium
PubChem CID59710638
Molecular FormulaC6H5NO3Y-2
Molecular Weight228.02 g/mol
Exact Mass227.93
IUPAC Nameethanone;pyrrol-1-ide-2,5-dione;yttrium
SMILESC[C-]=O.O=C1C=CC(=O)[N-]1.[Y]
InChIInChI=1S/C4H3NO2.C2H3O.Y/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1
InChIKeyLLTCXCVDZVMGCV-UHFFFAOYSA-M
XLogP0.10
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanone;pyrrol-1-ide-2,5-dione;yttrium 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 ethanone;pyrrol-1-ide-2,5-dione;yttrium?
The IUPAC name of ethanone;pyrrol-1-ide-2,5-dione;yttrium (CID 59710638) is ethanone;pyrrol-1-ide-2,5-dione;yttrium.
What is the SMILES notation for ethanone;pyrrol-1-ide-2,5-dione;yttrium?
The canonical SMILES for ethanone;pyrrol-1-ide-2,5-dione;yttrium is C[C-]=O.O=C1C=CC(=O)[N-]1.[Y].
What is the InChIKey of ethanone;pyrrol-1-ide-2,5-dione;yttrium?
The InChIKey is LLTCXCVDZVMGCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2.C2H3O.Y/c6-3-1-2-4(7)5-3;1-2-3;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1.
What are the key properties of ethanone;pyrrol-1-ide-2,5-dione;yttrium?
ethanone;pyrrol-1-ide-2,5-dione;yttrium has a molecular weight of 228.02 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;pyrrol-1-ide-2,5-dione;yttrium is sourced from PubChem (CID 59710638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).