2,3-dihydroazaborinine

C4H6BN — CID 123794338

IUPAC2,3-dihydroazaborinine
SMILESB1CC=CC=N1
InChIInChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-2,4-5H,3H2
InChIKeyPZOZFYXBOOICPG-UHFFFAOYSA-N
MW78.91 g/mol
LogP0.40
Rot. Bonds

About 2,3-dihydroazaborinine

2,3-dihydroazaborinine (PubChem CID 123794338) has the molecular formula C4H6BN and a molecular weight of 78.91 g/mol. Its IUPAC name is 2,3-dihydroazaborinine.

Molecular Properties

Compound Name2,3-dihydroazaborinine
PubChem CID123794338
Molecular FormulaC4H6BN
Molecular Weight78.91 g/mol
Exact Mass79.06
IUPAC Name2,3-dihydroazaborinine
SMILESB1CC=CC=N1
InChIInChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-2,4-5H,3H2
InChIKeyPZOZFYXBOOICPG-UHFFFAOYSA-N
XLogP0.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.91
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dihydroazaborinine?
The IUPAC name of 2,3-dihydroazaborinine (CID 123794338) is 2,3-dihydroazaborinine.
What is the SMILES notation for 2,3-dihydroazaborinine?
The canonical SMILES for 2,3-dihydroazaborinine is B1CC=CC=N1.
What is the InChIKey of 2,3-dihydroazaborinine?
The InChIKey is PZOZFYXBOOICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-2,4-5H,3H2.
What are the key properties of 2,3-dihydroazaborinine?
2,3-dihydroazaborinine has a molecular weight of 78.91 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroazaborinine is sourced from PubChem (CID 123794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).