CID 20690308

C3H7BNY+2 — CID 20690308

IUPAC—
SMILES[B]C(C)C[NH-].[Y+3]
InChIInChI=1S/C3H7BN.Y/c1-3(4)2-5;/h3,5H,2H2,1H3;/q-1;+3
InChIKeyWXLONTWLKBLYII-UHFFFAOYSA-N
MW156.81 g/mol
LogP1.01
Rot. Bonds1

About CID 20690308

CID 20690308 (PubChem CID 20690308) has the molecular formula C3H7BNY+2 and a molecular weight of 156.81 g/mol.

Molecular Properties

Compound NameCID 20690308
PubChem CID20690308
Molecular FormulaC3H7BNY+2
Molecular Weight156.81 g/mol
Exact Mass156.97
IUPAC Name—
SMILES[B]C(C)C[NH-].[Y+3]
InChIInChI=1S/C3H7BN.Y/c1-3(4)2-5;/h3,5H,2H2,1H3;/q-1;+3
InChIKeyWXLONTWLKBLYII-UHFFFAOYSA-N
XLogP1.01
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.81
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 20690308?
The IUPAC name of CID 20690308 (CID 20690308) is not available.
What is the SMILES notation for CID 20690308?
The canonical SMILES for CID 20690308 is [B]C(C)C[NH-].[Y+3].
What is the InChIKey of CID 20690308?
The InChIKey is WXLONTWLKBLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BN.Y/c1-3(4)2-5;/h3,5H,2H2,1H3;/q-1;+3.
What are the key properties of CID 20690308?
CID 20690308 has a molecular weight of 156.81 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20690308 is sourced from PubChem (CID 20690308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).