(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium

C7H7NO4P+ — CID 130464010

IUPAC(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4P/c1-2-5-12-13(11)8-6(9)3-4-7(8)10/h2-4H,1,5H2/q+1
InChIKeyHBNKTEPZZHKOSP-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.77
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium

(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium (PubChem CID 130464010) has the molecular formula C7H7NO4P+ and a molecular weight of 200.11 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium
PubChem CID130464010
Molecular FormulaC7H7NO4P+
Molecular Weight200.11 g/mol
Exact Mass200.01
IUPAC Name(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4P/c1-2-5-12-13(11)8-6(9)3-4-7(8)10/h2-4H,1,5H2/q+1
InChIKeyHBNKTEPZZHKOSP-UHFFFAOYSA-N
XLogP0.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)-oxo-prop-2-enoxyphosphanium?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium (CID 130464010) is (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium is C=CCO[P+](=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium?
The InChIKey is HBNKTEPZZHKOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4P/c1-2-5-12-13(11)8-6(9)3-4-7(8)10/h2-4H,1,5H2/q+1.
What are the key properties of (2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium?
(2,5-dioxopyrrol-1-yl)-oxo-prop-2-enoxyphosphanium has a molecular weight of 200.11 g/mol, XLogP of 0.77, 4 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)-oxo-prop-2-enoxyphosphanium is sourced from PubChem (CID 130464010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).