lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate

C6H7LiNO5P — CID 140811009

IUPAClithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate
SMILESCCOP(=O)([O-])N1C(=O)C=CC1=O.[Li+]
InChIInChI=1S/C6H8NO5P.Li/c1-2-12-13(10,11)7-5(8)3-4-6(7)9;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyTVOJXDMWVXECSX-UHFFFAOYSA-M
MW211.04 g/mol
LogP-3.58
Rot. Bonds3

About lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate

lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate (PubChem CID 140811009) has the molecular formula C6H7LiNO5P and a molecular weight of 211.04 g/mol. Its IUPAC name is lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate.

Molecular Properties

Compound Namelithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate
PubChem CID140811009
Molecular FormulaC6H7LiNO5P
Molecular Weight211.04 g/mol
Exact Mass211.02
IUPAC Namelithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate
SMILESCCOP(=O)([O-])N1C(=O)C=CC1=O.[Li+]
InChIInChI=1S/C6H8NO5P.Li/c1-2-12-13(10,11)7-5(8)3-4-6(7)9;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyTVOJXDMWVXECSX-UHFFFAOYSA-M
XLogP-3.58
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.04
LogP ≤ 5-3.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate 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 lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate?
The IUPAC name of lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate (CID 140811009) is lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate.
What is the SMILES notation for lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate?
The canonical SMILES for lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate is CCOP(=O)([O-])N1C(=O)C=CC1=O.[Li+].
What is the InChIKey of lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate?
The InChIKey is TVOJXDMWVXECSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8NO5P.Li/c1-2-12-13(10,11)7-5(8)3-4-6(7)9;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate?
lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate has a molecular weight of 211.04 g/mol, XLogP of -3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,5-dioxopyrrol-1-yl)-ethoxyphosphinate is sourced from PubChem (CID 140811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).