vinyl boronate

C2H3BO2- — CID 131748870

IUPAC—
SMILESC=CO[B][O-]
InChIInChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2/q-1
InChIKeyHLGUAHLQRMEOSI-UHFFFAOYSA-N
MW69.86 g/mol
LogP-0.96
Rot. Bonds2

About vinyl boronate

vinyl boronate (PubChem CID 131748870) has the molecular formula C2H3BO2- and a molecular weight of 69.86 g/mol.

Molecular Properties

Compound Namevinyl boronate
PubChem CID131748870
Molecular FormulaC2H3BO2-
Molecular Weight69.86 g/mol
Exact Mass70.02
IUPAC Name—
SMILESC=CO[B][O-]
InChIInChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2/q-1
InChIKeyHLGUAHLQRMEOSI-UHFFFAOYSA-N
XLogP-0.96
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.86
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze vinyl boronate 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 vinyl boronate?
The IUPAC name of vinyl boronate (CID 131748870) is not available.
What is the SMILES notation for vinyl boronate?
The canonical SMILES for vinyl boronate is C=CO[B][O-].
What is the InChIKey of vinyl boronate?
The InChIKey is HLGUAHLQRMEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2/q-1.
What are the key properties of vinyl boronate?
vinyl boronate has a molecular weight of 69.86 g/mol, XLogP of -0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for vinyl boronate is sourced from PubChem (CID 131748870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).