(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium

C6H7NO4P+ — CID 130463999

IUPAC(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4P/c1-2-11-12(10)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3/q+1
InChIKeyTZVVJRDWPZIFOQ-UHFFFAOYSA-N
MW188.10 g/mol
LogP0.61
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium

(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium (PubChem CID 130463999) has the molecular formula C6H7NO4P+ and a molecular weight of 188.10 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium
PubChem CID130463999
Molecular FormulaC6H7NO4P+
Molecular Weight188.10 g/mol
Exact Mass188.01
IUPAC Name(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4P/c1-2-11-12(10)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3/q+1
InChIKeyTZVVJRDWPZIFOQ-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-ethoxy-oxophosphanium?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium (CID 130463999) is (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium is CCO[P+](=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium?
The InChIKey is TZVVJRDWPZIFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4P/c1-2-11-12(10)7-5(8)3-4-6(7)9/h3-4H,2H2,1H3/q+1.
What are the key properties of (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium?
(2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium has a molecular weight of 188.10 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)-ethoxy-oxophosphanium is sourced from PubChem (CID 130463999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).