(2,5-dioxopyrrol-3-yl)phosphonic acid

C4H4NO5P — CID 123761683

IUPAC(2,5-dioxopyrrol-3-yl)phosphonic acid
SMILESO=C1C=C(P(=O)(O)O)C(=O)N1
InChIInChI=1S/C4H4NO5P/c6-3-1-2(4(7)5-3)11(8,9)10/h1H,(H,5,6,7)(H2,8,9,10)
InChIKeyFNKCRNZQLZNVKF-UHFFFAOYSA-N
MW177.05 g/mol
LogP-1.30
Rot. Bonds1

About (2,5-dioxopyrrol-3-yl)phosphonic acid

(2,5-dioxopyrrol-3-yl)phosphonic acid (PubChem CID 123761683) has the molecular formula C4H4NO5P and a molecular weight of 177.05 g/mol. Its IUPAC name is (2,5-dioxopyrrol-3-yl)phosphonic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-3-yl)phosphonic acid
PubChem CID123761683
Molecular FormulaC4H4NO5P
Molecular Weight177.05 g/mol
Exact Mass176.98
IUPAC Name(2,5-dioxopyrrol-3-yl)phosphonic acid
SMILESO=C1C=C(P(=O)(O)O)C(=O)N1
InChIInChI=1S/C4H4NO5P/c6-3-1-2(4(7)5-3)11(8,9)10/h1H,(H,5,6,7)(H2,8,9,10)
InChIKeyFNKCRNZQLZNVKF-UHFFFAOYSA-N
XLogP-1.30
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
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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Related Compounds

(3-oxopyrazol-4-yl)phosphonic acid
CID 70569137
3-(1-chloroethenyl)pyrrole-2,5-dione
CID 141242374
3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione
CID 143295220
3-(1-hydroxy-2-sulfanylethyl)pyrrole-2,5-dione
CID 174744073
methanol;3-phenylpyrrole-2,5-dione
CID 21418489
3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione
CID 157134847
2-aminoethyl dihydrogen phosphate;pyrrole-2,5-dione
CID 159685474
3-(2-fluoropropan-2-yl)pyrrole-2,5-dione
CID 139973209
3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione
CID 121483276
3-(2,5-dioxopyrrol-3-yl)propane-1-sulfonic acid
CID 150149145
(2,5-dioxopyrrol-3-yl) benzoate
CID 70270981
(2,4,5-triphosphonophenyl)phosphonic acid
CID 59806858

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-3-yl)phosphonic acid?
The IUPAC name of (2,5-dioxopyrrol-3-yl)phosphonic acid (CID 123761683) is (2,5-dioxopyrrol-3-yl)phosphonic acid.
What is the SMILES notation for (2,5-dioxopyrrol-3-yl)phosphonic acid?
The canonical SMILES for (2,5-dioxopyrrol-3-yl)phosphonic acid is O=C1C=C(P(=O)(O)O)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrol-3-yl)phosphonic acid?
The InChIKey is FNKCRNZQLZNVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO5P/c6-3-1-2(4(7)5-3)11(8,9)10/h1H,(H,5,6,7)(H2,8,9,10).
What are the key properties of (2,5-dioxopyrrol-3-yl)phosphonic acid?
(2,5-dioxopyrrol-3-yl)phosphonic acid has a molecular weight of 177.05 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-3-yl)phosphonic acid is sourced from PubChem (CID 123761683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).