CID 20680186

C2H4BN2 — CID 20680186

IUPAC—
SMILESC=N[B]N=C
InChIInChI=1S/C2H4BN2/c1-4-3-5-2/h1-2H2
InChIKeyYJCWBNOXVUBZDZ-UHFFFAOYSA-N
MW66.88 g/mol
LogP-0.08
Rot. Bonds2

About CID 20680186

CID 20680186 (PubChem CID 20680186) has the molecular formula C2H4BN2 and a molecular weight of 66.88 g/mol.

Molecular Properties

Compound NameCID 20680186
PubChem CID20680186
Molecular FormulaC2H4BN2
Molecular Weight66.88 g/mol
Exact Mass67.05
IUPAC Name—
SMILESC=N[B]N=C
InChIInChI=1S/C2H4BN2/c1-4-3-5-2/h1-2H2
InChIKeyYJCWBNOXVUBZDZ-UHFFFAOYSA-N
XLogP-0.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.88
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20680186?
The IUPAC name of CID 20680186 (CID 20680186) is not available.
What is the SMILES notation for CID 20680186?
The canonical SMILES for CID 20680186 is C=N[B]N=C.
What is the InChIKey of CID 20680186?
The InChIKey is YJCWBNOXVUBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BN2/c1-4-3-5-2/h1-2H2.
What are the key properties of CID 20680186?
CID 20680186 has a molecular weight of 66.88 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20680186 is sourced from PubChem (CID 20680186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).