3H-pyrrol-3-ide-2,5-dione;rubidium(1+)

C4H2NO2Rb — CID 164539307

IUPAC3H-pyrrol-3-ide-2,5-dione;rubidium(1+)
SMILESO=C1[C-]=CC(=O)N1.[Rb+]
InChIInChI=1S/C4H2NO2.Rb/c6-3-1-2-4(7)5-3;/h1H,(H,5,6,7);/q-1;+1
InChIKeyQWPUUWRJDMUBOR-UHFFFAOYSA-N
MW181.53 g/mol
LogP-3.99
Rot. Bonds

About 3H-pyrrol-3-ide-2,5-dione;rubidium(1+)

3H-pyrrol-3-ide-2,5-dione;rubidium(1+) (PubChem CID 164539307) has the molecular formula C4H2NO2Rb and a molecular weight of 181.53 g/mol. Its IUPAC name is 3H-pyrrol-3-ide-2,5-dione;rubidium(1+).

Molecular Properties

Compound Name3H-pyrrol-3-ide-2,5-dione;rubidium(1+)
PubChem CID164539307
Molecular FormulaC4H2NO2Rb
Molecular Weight181.53 g/mol
Exact Mass180.92
IUPAC Name3H-pyrrol-3-ide-2,5-dione;rubidium(1+)
SMILESO=C1[C-]=CC(=O)N1.[Rb+]
InChIInChI=1S/C4H2NO2.Rb/c6-3-1-2-4(7)5-3;/h1H,(H,5,6,7);/q-1;+1
InChIKeyQWPUUWRJDMUBOR-UHFFFAOYSA-N
XLogP-3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.53
LogP ≤ 5-3.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-3-ide-2,5-dione;rubidium(1+)?
The IUPAC name of 3H-pyrrol-3-ide-2,5-dione;rubidium(1+) (CID 164539307) is 3H-pyrrol-3-ide-2,5-dione;rubidium(1+).
What is the SMILES notation for 3H-pyrrol-3-ide-2,5-dione;rubidium(1+)?
The canonical SMILES for 3H-pyrrol-3-ide-2,5-dione;rubidium(1+) is O=C1[C-]=CC(=O)N1.[Rb+].
What is the InChIKey of 3H-pyrrol-3-ide-2,5-dione;rubidium(1+)?
The InChIKey is QWPUUWRJDMUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2NO2.Rb/c6-3-1-2-4(7)5-3;/h1H,(H,5,6,7);/q-1;+1.
What are the key properties of 3H-pyrrol-3-ide-2,5-dione;rubidium(1+)?
3H-pyrrol-3-ide-2,5-dione;rubidium(1+) has a molecular weight of 181.53 g/mol, XLogP of -3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-3-ide-2,5-dione;rubidium(1+) is sourced from PubChem (CID 164539307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).