pentane-2,4-dione;rubidium(1+)

C5H7O2Rb — CID 23704362

IUPACpentane-2,4-dione;rubidium(1+)
SMILESCC(=O)[CH-]C(C)=O.[Rb+]
InChIInChI=1S/C5H7O2.Rb/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1
InChIKeyJEUVQIAFCDULSP-UHFFFAOYSA-N
MW184.58 g/mol
LogP-2.63
Rot. Bonds2

About pentane-2,4-dione;rubidium(1+)

pentane-2,4-dione;rubidium(1+) (PubChem CID 23704362) has the molecular formula C5H7O2Rb and a molecular weight of 184.58 g/mol. Its IUPAC name is pentane-2,4-dione;rubidium(1+).

Molecular Properties

Compound Namepentane-2,4-dione;rubidium(1+)
PubChem CID23704362
Molecular FormulaC5H7O2Rb
Molecular Weight184.58 g/mol
Exact Mass183.96
IUPAC Namepentane-2,4-dione;rubidium(1+)
SMILESCC(=O)[CH-]C(C)=O.[Rb+]
InChIInChI=1S/C5H7O2.Rb/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1
InChIKeyJEUVQIAFCDULSP-UHFFFAOYSA-N
XLogP-2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze pentane-2,4-dione;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 pentane-2,4-dione;rubidium(1+)?
The IUPAC name of pentane-2,4-dione;rubidium(1+) (CID 23704362) is pentane-2,4-dione;rubidium(1+).
What is the SMILES notation for pentane-2,4-dione;rubidium(1+)?
The canonical SMILES for pentane-2,4-dione;rubidium(1+) is CC(=O)[CH-]C(C)=O.[Rb+].
What is the InChIKey of pentane-2,4-dione;rubidium(1+)?
The InChIKey is JEUVQIAFCDULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.Rb/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1.
What are the key properties of pentane-2,4-dione;rubidium(1+)?
pentane-2,4-dione;rubidium(1+) has a molecular weight of 184.58 g/mol, XLogP of -2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-dione;rubidium(1+) is sourced from PubChem (CID 23704362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).