zinc pyrrol-2-ylidenemethanediolate

C5H3NO2Zn — CID 25022578

IUPACzinc pyrrol-2-ylidenemethanediolate
SMILES[O-]C([O-])=C1C=CC=N1.[Zn+2]
InChIInChI=1S/C5H5NO2.Zn/c7-5(8)4-2-1-3-6-4;/h1-3,7-8H;/q;+2/p-2
InChIKeyGVEWMTUAFNYVIJ-UHFFFAOYSA-L
MW174.47 g/mol
LogP-1.49
Rot. Bonds

About zinc pyrrol-2-ylidenemethanediolate

zinc pyrrol-2-ylidenemethanediolate (PubChem CID 25022578) has the molecular formula C5H3NO2Zn and a molecular weight of 174.47 g/mol. Its IUPAC name is zinc pyrrol-2-ylidenemethanediolate.

Molecular Properties

Compound Namezinc pyrrol-2-ylidenemethanediolate
PubChem CID25022578
Molecular FormulaC5H3NO2Zn
Molecular Weight174.47 g/mol
Exact Mass172.95
IUPAC Namezinc pyrrol-2-ylidenemethanediolate
SMILES[O-]C([O-])=C1C=CC=N1.[Zn+2]
InChIInChI=1S/C5H5NO2.Zn/c7-5(8)4-2-1-3-6-4;/h1-3,7-8H;/q;+2/p-2
InChIKeyGVEWMTUAFNYVIJ-UHFFFAOYSA-L
XLogP-1.49
TPSA58.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.47
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc pyrrol-2-ylidenemethanediolate?
The IUPAC name of zinc pyrrol-2-ylidenemethanediolate (CID 25022578) is zinc pyrrol-2-ylidenemethanediolate.
What is the SMILES notation for zinc pyrrol-2-ylidenemethanediolate?
The canonical SMILES for zinc pyrrol-2-ylidenemethanediolate is [O-]C([O-])=C1C=CC=N1.[Zn+2].
What is the InChIKey of zinc pyrrol-2-ylidenemethanediolate?
The InChIKey is GVEWMTUAFNYVIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5NO2.Zn/c7-5(8)4-2-1-3-6-4;/h1-3,7-8H;/q;+2/p-2.
What are the key properties of zinc pyrrol-2-ylidenemethanediolate?
zinc pyrrol-2-ylidenemethanediolate has a molecular weight of 174.47 g/mol, XLogP of -1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc pyrrol-2-ylidenemethanediolate is sourced from PubChem (CID 25022578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).