1,3,4,2-dioxazaborolidine

CH3BNO2 — CID 155490889

IUPAC—
SMILES[B]1OCNO1
InChIInChI=1S/CH3BNO2/c1-3-5-2-4-1/h3H,1H2
InChIKeyMVZMFDDONIBMDS-UHFFFAOYSA-N
MW71.85 g/mol
LogP-0.97
Rot. Bonds

About 1,3,4,2-dioxazaborolidine

1,3,4,2-dioxazaborolidine (PubChem CID 155490889) has the molecular formula CH3BNO2 and a molecular weight of 71.85 g/mol.

Molecular Properties

Compound Name1,3,4,2-dioxazaborolidine
PubChem CID155490889
Molecular FormulaCH3BNO2
Molecular Weight71.85 g/mol
Exact Mass72.03
IUPAC Name—
SMILES[B]1OCNO1
InChIInChI=1S/CH3BNO2/c1-3-5-2-4-1/h3H,1H2
InChIKeyMVZMFDDONIBMDS-UHFFFAOYSA-N
XLogP-0.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.85
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,2-dioxazaborolidine?
The IUPAC name of 1,3,4,2-dioxazaborolidine (CID 155490889) is not available.
What is the SMILES notation for 1,3,4,2-dioxazaborolidine?
The canonical SMILES for 1,3,4,2-dioxazaborolidine is [B]1OCNO1.
What is the InChIKey of 1,3,4,2-dioxazaborolidine?
The InChIKey is MVZMFDDONIBMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BNO2/c1-3-5-2-4-1/h3H,1H2.
What are the key properties of 1,3,4,2-dioxazaborolidine?
1,3,4,2-dioxazaborolidine has a molecular weight of 71.85 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,2-dioxazaborolidine is sourced from PubChem (CID 155490889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).