CID 161374126

C6H19BN2O2 — CID 161374126

IUPAC—
SMILESC.CON(C)C.[B]ON(C)C
InChIInChI=1S/C3H9NO.C2H6BNO.CH4/c2*1-4(2)5-3;/h1-3H3;1-2H3;1H4
InChIKeyVYVCQECSGWUKAU-UHFFFAOYSA-N
MW162.04 g/mol
LogP0.31
Rot. Bonds2

About CID 161374126

CID 161374126 (PubChem CID 161374126) has the molecular formula C6H19BN2O2 and a molecular weight of 162.04 g/mol.

Molecular Properties

Compound NameCID 161374126
PubChem CID161374126
Molecular FormulaC6H19BN2O2
Molecular Weight162.04 g/mol
Exact Mass162.15
IUPAC Name—
SMILESC.CON(C)C.[B]ON(C)C
InChIInChI=1S/C3H9NO.C2H6BNO.CH4/c2*1-4(2)5-3;/h1-3H3;1-2H3;1H4
InChIKeyVYVCQECSGWUKAU-UHFFFAOYSA-N
XLogP0.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161374126?
The IUPAC name of CID 161374126 (CID 161374126) is not available.
What is the SMILES notation for CID 161374126?
The canonical SMILES for CID 161374126 is C.CON(C)C.[B]ON(C)C.
What is the InChIKey of CID 161374126?
The InChIKey is VYVCQECSGWUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H6BNO.CH4/c2*1-4(2)5-3;/h1-3H3;1-2H3;1H4.
What are the key properties of CID 161374126?
CID 161374126 has a molecular weight of 162.04 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161374126 is sourced from PubChem (CID 161374126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).