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

C5H5NO2Y-2 — CID 58185087

IUPACcarbanide;pyrrol-1-ide-2,5-dione;yttrium
SMILESO=C1C=CC(=O)[N-]1.[CH3-].[Y]
InChIInChI=1S/C4H3NO2.CH3.Y/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1
InChIKeyMYMFGEHCKGOXJK-UHFFFAOYSA-M
MW200.01 g/mol
LogP0.43
Rot. Bonds

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

carbanide;pyrrol-1-ide-2,5-dione;yttrium (PubChem CID 58185087) has the molecular formula C5H5NO2Y-2 and a molecular weight of 200.01 g/mol. Its IUPAC name is carbanide;pyrrol-1-ide-2,5-dione;yttrium.

Molecular Properties

Compound Namecarbanide;pyrrol-1-ide-2,5-dione;yttrium
PubChem CID58185087
Molecular FormulaC5H5NO2Y-2
Molecular Weight200.01 g/mol
Exact Mass199.94
IUPAC Namecarbanide;pyrrol-1-ide-2,5-dione;yttrium
SMILESO=C1C=CC(=O)[N-]1.[CH3-].[Y]
InChIInChI=1S/C4H3NO2.CH3.Y/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1
InChIKeyMYMFGEHCKGOXJK-UHFFFAOYSA-M
XLogP0.43
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.01
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;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 carbanide;pyrrol-1-ide-2,5-dione;yttrium?
The IUPAC name of carbanide;pyrrol-1-ide-2,5-dione;yttrium (CID 58185087) is carbanide;pyrrol-1-ide-2,5-dione;yttrium.
What is the SMILES notation for carbanide;pyrrol-1-ide-2,5-dione;yttrium?
The canonical SMILES for carbanide;pyrrol-1-ide-2,5-dione;yttrium is O=C1C=CC(=O)[N-]1.[CH3-].[Y].
What is the InChIKey of carbanide;pyrrol-1-ide-2,5-dione;yttrium?
The InChIKey is MYMFGEHCKGOXJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2.CH3.Y/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);1H3;/q;-1;/p-1.
What are the key properties of carbanide;pyrrol-1-ide-2,5-dione;yttrium?
carbanide;pyrrol-1-ide-2,5-dione;yttrium has a molecular weight of 200.01 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;pyrrol-1-ide-2,5-dione;yttrium is sourced from PubChem (CID 58185087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).