imidazolidin-1-yloxyboronic acid

C3H9BN2O3 — CID 91336046

IUPACimidazolidin-1-yloxyboronic acid
SMILESOB(O)ON1CCNC1
InChIInChI=1S/C3H9BN2O3/c7-4(8)9-6-2-1-5-3-6/h5,7-8H,1-3H2
InChIKeyOYLNKYPJECSXIM-UHFFFAOYSA-N
MW131.93 g/mol
LogP-2.25
Rot. Bonds2

About imidazolidin-1-yloxyboronic acid

imidazolidin-1-yloxyboronic acid (PubChem CID 91336046) has the molecular formula C3H9BN2O3 and a molecular weight of 131.93 g/mol. Its IUPAC name is imidazolidin-1-yloxyboronic acid.

Molecular Properties

Compound Nameimidazolidin-1-yloxyboronic acid
PubChem CID91336046
Molecular FormulaC3H9BN2O3
Molecular Weight131.93 g/mol
Exact Mass132.07
IUPAC Nameimidazolidin-1-yloxyboronic acid
SMILESOB(O)ON1CCNC1
InChIInChI=1S/C3H9BN2O3/c7-4(8)9-6-2-1-5-3-6/h5,7-8H,1-3H2
InChIKeyOYLNKYPJECSXIM-UHFFFAOYSA-N
XLogP-2.25
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.93
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze imidazolidin-1-yloxyboronic acid 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 imidazolidin-1-yloxyboronic acid?
The IUPAC name of imidazolidin-1-yloxyboronic acid (CID 91336046) is imidazolidin-1-yloxyboronic acid.
What is the SMILES notation for imidazolidin-1-yloxyboronic acid?
The canonical SMILES for imidazolidin-1-yloxyboronic acid is OB(O)ON1CCNC1.
What is the InChIKey of imidazolidin-1-yloxyboronic acid?
The InChIKey is OYLNKYPJECSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BN2O3/c7-4(8)9-6-2-1-5-3-6/h5,7-8H,1-3H2.
What are the key properties of imidazolidin-1-yloxyboronic acid?
imidazolidin-1-yloxyboronic acid has a molecular weight of 131.93 g/mol, XLogP of -2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-1-yloxyboronic acid is sourced from PubChem (CID 91336046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).