sodium (Z)-(2-oxooxolan-3-ylidene)methanolate

C5H5NaO3 — CID 23677780

IUPACsodium (Z)-(2-oxooxolan-3-ylidene)methanolate
SMILESO=C1OCC/C1=C/[O-].[Na+]
InChIInChI=1S/C5H6O3.Na/c6-3-4-1-2-8-5(4)7;/h3,6H,1-2H2;/q;+1/p-1/b4-3-;
InChIKeyBKMKHXCXVBERSB-LNKPDPKZSA-M
MW136.08 g/mol
LogP-3.82
Rot. Bonds

About sodium (Z)-(2-oxooxolan-3-ylidene)methanolate

sodium (Z)-(2-oxooxolan-3-ylidene)methanolate (PubChem CID 23677780) has the molecular formula C5H5NaO3 and a molecular weight of 136.08 g/mol. Its IUPAC name is sodium (Z)-(2-oxooxolan-3-ylidene)methanolate.

Molecular Properties

Compound Namesodium (Z)-(2-oxooxolan-3-ylidene)methanolate
PubChem CID23677780
Molecular FormulaC5H5NaO3
Molecular Weight136.08 g/mol
Exact Mass136.01
IUPAC Namesodium (Z)-(2-oxooxolan-3-ylidene)methanolate
SMILESO=C1OCC/C1=C/[O-].[Na+]
InChIInChI=1S/C5H6O3.Na/c6-3-4-1-2-8-5(4)7;/h3,6H,1-2H2;/q;+1/p-1/b4-3-;
InChIKeyBKMKHXCXVBERSB-LNKPDPKZSA-M
XLogP-3.82
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-3.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze sodium (Z)-(2-oxooxolan-3-ylidene)methanolate 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 sodium (Z)-(2-oxooxolan-3-ylidene)methanolate?
The IUPAC name of sodium (Z)-(2-oxooxolan-3-ylidene)methanolate (CID 23677780) is sodium (Z)-(2-oxooxolan-3-ylidene)methanolate.
What is the SMILES notation for sodium (Z)-(2-oxooxolan-3-ylidene)methanolate?
The canonical SMILES for sodium (Z)-(2-oxooxolan-3-ylidene)methanolate is O=C1OCC/C1=C/[O-].[Na+].
What is the InChIKey of sodium (Z)-(2-oxooxolan-3-ylidene)methanolate?
The InChIKey is BKMKHXCXVBERSB-LNKPDPKZSA-M. The full InChI is InChI=1S/C5H6O3.Na/c6-3-4-1-2-8-5(4)7;/h3,6H,1-2H2;/q;+1/p-1/b4-3-;.
What are the key properties of sodium (Z)-(2-oxooxolan-3-ylidene)methanolate?
sodium (Z)-(2-oxooxolan-3-ylidene)methanolate has a molecular weight of 136.08 g/mol, XLogP of -3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-(2-oxooxolan-3-ylidene)methanolate is sourced from PubChem (CID 23677780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).