(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)

C4H2NO3Rb — CID 156851235

IUPAC(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)
SMILES[NH-]c1c(O)c(=O)c1=O.[Rb+]
InChIInChI=1S/C4H3NO3.Rb/c5-1-2(6)4(8)3(1)7;/h(H3,5,6,7,8);/q;+1/p-1
InChIKeyPDSKXGWHQVJPGF-UHFFFAOYSA-M
MW197.53 g/mol
LogP-3.32
Rot. Bonds

About (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)

(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) (PubChem CID 156851235) has the molecular formula C4H2NO3Rb and a molecular weight of 197.53 g/mol. Its IUPAC name is (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+).

Molecular Properties

Compound Name(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)
PubChem CID156851235
Molecular FormulaC4H2NO3Rb
Molecular Weight197.53 g/mol
Exact Mass196.92
IUPAC Name(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)
SMILES[NH-]c1c(O)c(=O)c1=O.[Rb+]
InChIInChI=1S/C4H3NO3.Rb/c5-1-2(6)4(8)3(1)7;/h(H3,5,6,7,8);/q;+1/p-1
InChIKeyPDSKXGWHQVJPGF-UHFFFAOYSA-M
XLogP-3.32
TPSA78.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.53
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) 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 (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)?
The IUPAC name of (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) (CID 156851235) is (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+).
What is the SMILES notation for (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)?
The canonical SMILES for (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) is [NH-]c1c(O)c(=O)c1=O.[Rb+].
What is the InChIKey of (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)?
The InChIKey is PDSKXGWHQVJPGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO3.Rb/c5-1-2(6)4(8)3(1)7;/h(H3,5,6,7,8);/q;+1/p-1.
What are the key properties of (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+)?
(2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) has a molecular weight of 197.53 g/mol, XLogP of -3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4-dioxocyclobuten-1-yl)azanide;rubidium(1+) is sourced from PubChem (CID 156851235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).