(2,5-dioxopyrrol-1-yl)phosphonic acid

C4H4NO5P — CID 19973389

IUPAC(2,5-dioxopyrrol-1-yl)phosphonic acid
SMILESO=C1C=CC(=O)N1P(=O)(O)O
InChIInChI=1S/C4H4NO5P/c6-3-1-2-4(7)5(3)11(8,9)10/h1-2H,(H2,8,9,10)
InChIKeyLOZPROBZILVCIJ-UHFFFAOYSA-N
MW177.05 g/mol
LogP-1.00
Rot. Bonds1

About (2,5-dioxopyrrol-1-yl)phosphonic acid

(2,5-dioxopyrrol-1-yl)phosphonic acid (PubChem CID 19973389) has the molecular formula C4H4NO5P and a molecular weight of 177.05 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)phosphonic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)phosphonic acid
PubChem CID19973389
Molecular FormulaC4H4NO5P
Molecular Weight177.05 g/mol
Exact Mass176.98
IUPAC Name(2,5-dioxopyrrol-1-yl)phosphonic acid
SMILESO=C1C=CC(=O)N1P(=O)(O)O
InChIInChI=1S/C4H4NO5P/c6-3-1-2-4(7)5(3)11(8,9)10/h1-2H,(H2,8,9,10)
InChIKeyLOZPROBZILVCIJ-UHFFFAOYSA-N
XLogP-1.00
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)phosphonic acid?
The IUPAC name of (2,5-dioxopyrrol-1-yl)phosphonic acid (CID 19973389) is (2,5-dioxopyrrol-1-yl)phosphonic acid.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)phosphonic acid?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)phosphonic acid is O=C1C=CC(=O)N1P(=O)(O)O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)phosphonic acid?
The InChIKey is LOZPROBZILVCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO5P/c6-3-1-2-4(7)5(3)11(8,9)10/h1-2H,(H2,8,9,10).
What are the key properties of (2,5-dioxopyrrol-1-yl)phosphonic acid?
(2,5-dioxopyrrol-1-yl)phosphonic acid has a molecular weight of 177.05 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)phosphonic acid is sourced from PubChem (CID 19973389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).