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

C6H8NO5P — CID 140811010

IUPAC(2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)N1C(=O)C=CC1=O
InChIInChI=1S/C6H8NO5P/c1-2-12-13(10,11)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyUDVGYDHQRRVKHU-UHFFFAOYSA-N
MW205.11 g/mol
LogP0.05
Rot. Bonds3

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

(2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid (PubChem CID 140811010) has the molecular formula C6H8NO5P and a molecular weight of 205.11 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid
PubChem CID140811010
Molecular FormulaC6H8NO5P
Molecular Weight205.11 g/mol
Exact Mass205.01
IUPAC Name(2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)N1C(=O)C=CC1=O
InChIInChI=1S/C6H8NO5P/c1-2-12-13(10,11)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyUDVGYDHQRRVKHU-UHFFFAOYSA-N
XLogP0.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid 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 (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid (CID 140811010) is (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid is CCOP(=O)(O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid?
The InChIKey is UDVGYDHQRRVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO5P/c1-2-12-13(10,11)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid?
(2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid has a molecular weight of 205.11 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)-ethoxyphosphinic acid is sourced from PubChem (CID 140811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).