oxido(oxo)borane;tetramethylazanium

C4H12BNO2 — CID 14746825

IUPACoxido(oxo)borane;tetramethylazanium
SMILESC[N+](C)(C)C.O=B[O-]
InChIInChI=1S/C4H12N.BO2/c1-5(2,3)4;2-1-3/h1-4H3;/q+1;-1
InChIKeyUWIUOCLQFPEMTM-UHFFFAOYSA-N
MW116.96 g/mol
LogP-1.37
Rot. Bonds

About oxido(oxo)borane;tetramethylazanium

oxido(oxo)borane;tetramethylazanium (PubChem CID 14746825) has the molecular formula C4H12BNO2 and a molecular weight of 116.96 g/mol. Its IUPAC name is oxido(oxo)borane;tetramethylazanium.

Molecular Properties

Compound Nameoxido(oxo)borane;tetramethylazanium
PubChem CID14746825
Molecular FormulaC4H12BNO2
Molecular Weight116.96 g/mol
Exact Mass117.10
IUPAC Nameoxido(oxo)borane;tetramethylazanium
SMILESC[N+](C)(C)C.O=B[O-]
InChIInChI=1S/C4H12N.BO2/c1-5(2,3)4;2-1-3/h1-4H3;/q+1;-1
InChIKeyUWIUOCLQFPEMTM-UHFFFAOYSA-N
XLogP-1.37
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.96
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxido(oxo)borane;tetramethylazanium?
The IUPAC name of oxido(oxo)borane;tetramethylazanium (CID 14746825) is oxido(oxo)borane;tetramethylazanium.
What is the SMILES notation for oxido(oxo)borane;tetramethylazanium?
The canonical SMILES for oxido(oxo)borane;tetramethylazanium is C[N+](C)(C)C.O=B[O-].
What is the InChIKey of oxido(oxo)borane;tetramethylazanium?
The InChIKey is UWIUOCLQFPEMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.BO2/c1-5(2,3)4;2-1-3/h1-4H3;/q+1;-1.
What are the key properties of oxido(oxo)borane;tetramethylazanium?
oxido(oxo)borane;tetramethylazanium has a molecular weight of 116.96 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(oxo)borane;tetramethylazanium is sourced from PubChem (CID 14746825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).