2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium

C13H16N2O6P+ — CID 123150805

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium
SMILESO=C(CC[P+](=O)CCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C13H16N2O6P/c16-10-3-4-11(17)14(10)7-9-22(20)8-5-13(19)21-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2/q+1
InChIKeyOEHSNTBPFRTAGW-UHFFFAOYSA-N
MW327.25 g/mol
LogP0.21
Rot. Bonds7

About 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium

2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium (PubChem CID 123150805) has the molecular formula C13H16N2O6P+ and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium
PubChem CID123150805
Molecular FormulaC13H16N2O6P+
Molecular Weight327.25 g/mol
Exact Mass327.07
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium
SMILESO=C(CC[P+](=O)CCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C13H16N2O6P/c16-10-3-4-11(17)14(10)7-9-22(20)8-5-13(19)21-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2/q+1
InChIKeyOEHSNTBPFRTAGW-UHFFFAOYSA-N
XLogP0.21
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium 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-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium (CID 123150805) is 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium is O=C(CC[P+](=O)CCN1C(=O)C=CC1=O)ON1CCCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium?
The InChIKey is OEHSNTBPFRTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6P/c16-10-3-4-11(17)14(10)7-9-22(20)8-5-13(19)21-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2/q+1.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium?
2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium has a molecular weight of 327.25 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl-oxo-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphanium is sourced from PubChem (CID 123150805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).