CID 89113769

C5H8BN2 — CID 89113769

IUPAC—
SMILESC[B]c1ccnn1C
InChIInChI=1S/C5H8BN2/c1-6-5-3-4-7-8(5)2/h3-4H,1-2H3
InChIKeyIZEOWHIUIJWCMP-UHFFFAOYSA-N
MW106.94 g/mol
LogP-0.20
Rot. Bonds1

About CID 89113769

CID 89113769 (PubChem CID 89113769) has the molecular formula C5H8BN2 and a molecular weight of 106.94 g/mol.

Molecular Properties

Compound NameCID 89113769
PubChem CID89113769
Molecular FormulaC5H8BN2
Molecular Weight106.94 g/mol
Exact Mass107.08
IUPAC Name—
SMILESC[B]c1ccnn1C
InChIInChI=1S/C5H8BN2/c1-6-5-3-4-7-8(5)2/h3-4H,1-2H3
InChIKeyIZEOWHIUIJWCMP-UHFFFAOYSA-N
XLogP-0.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.94
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 89113769?
The IUPAC name of CID 89113769 (CID 89113769) is not available.
What is the SMILES notation for CID 89113769?
The canonical SMILES for CID 89113769 is C[B]c1ccnn1C.
What is the InChIKey of CID 89113769?
The InChIKey is IZEOWHIUIJWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BN2/c1-6-5-3-4-7-8(5)2/h3-4H,1-2H3.
What are the key properties of CID 89113769?
CID 89113769 has a molecular weight of 106.94 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89113769 is sourced from PubChem (CID 89113769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).