(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium

C7H9NO4P+ — CID 130464094

IUPAC(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO4P/c1-5(2)12-13(11)8-6(9)3-4-7(8)10/h3-5H,1-2H3/q+1
InChIKeyBTOBRSUDCDUCIH-UHFFFAOYSA-N
MW202.13 g/mol
LogP0.99
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium

(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium (PubChem CID 130464094) has the molecular formula C7H9NO4P+ and a molecular weight of 202.13 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium
PubChem CID130464094
Molecular FormulaC7H9NO4P+
Molecular Weight202.13 g/mol
Exact Mass202.03
IUPAC Name(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO4P/c1-5(2)12-13(11)8-6(9)3-4-7(8)10/h3-5H,1-2H3/q+1
InChIKeyBTOBRSUDCDUCIH-UHFFFAOYSA-N
XLogP0.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 50.99
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)-oxo-propan-2-yloxyphosphanium?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium (CID 130464094) is (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium?
The InChIKey is BTOBRSUDCDUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4P/c1-5(2)12-13(11)8-6(9)3-4-7(8)10/h3-5H,1-2H3/q+1.
What are the key properties of (2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium?
(2,5-dioxopyrrol-1-yl)-oxo-propan-2-yloxyphosphanium has a molecular weight of 202.13 g/mol, XLogP of 0.99, 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)-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 130464094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).