[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium

C8H11NO4P+ — CID 130463946

IUPAC[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium
SMILESC/C=C/CO[P+](=O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4P/c1-2-3-6-13-14(12)9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/q+1/b3-2+
InChIKeyUQUHMXLJPBZQSJ-NSCUHMNNSA-N
MW216.15 g/mol
LogP1.39
Rot. Bonds4

About [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium

[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium (PubChem CID 130463946) has the molecular formula C8H11NO4P+ and a molecular weight of 216.15 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium
PubChem CID130463946
Molecular FormulaC8H11NO4P+
Molecular Weight216.15 g/mol
Exact Mass216.04
IUPAC Name[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium
SMILESC/C=C/CO[P+](=O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4P/c1-2-3-6-13-14(12)9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/q+1/b3-2+
InChIKeyUQUHMXLJPBZQSJ-NSCUHMNNSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 51.39
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 [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium?
The IUPAC name of [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium (CID 130463946) is [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium.
What is the SMILES notation for [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium?
The canonical SMILES for [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium is C/C=C/CO[P+](=O)N1C(=O)CCC1=O.
What is the InChIKey of [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium?
The InChIKey is UQUHMXLJPBZQSJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11NO4P/c1-2-3-6-13-14(12)9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/q+1/b3-2+.
What are the key properties of [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium?
[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium has a molecular weight of 216.15 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium is sourced from PubChem (CID 130463946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).