dicyano(diethyl)boranuide

C6H10BN2- — CID 89388981

IUPACdicyano(diethyl)boranuide
SMILESCC[B-](C#N)(C#N)CC
InChIInChI=1S/C6H10BN2/c1-3-7(4-2,5-8)6-9/h3-4H2,1-2H3/q-1
InChIKeyWWEOKPHTEZOEFK-UHFFFAOYSA-N
MW120.97 g/mol
LogP1.60
Rot. Bonds2

About dicyano(diethyl)boranuide

dicyano(diethyl)boranuide (PubChem CID 89388981) has the molecular formula C6H10BN2- and a molecular weight of 120.97 g/mol. Its IUPAC name is dicyano(diethyl)boranuide.

Molecular Properties

Compound Namedicyano(diethyl)boranuide
PubChem CID89388981
Molecular FormulaC6H10BN2-
Molecular Weight120.97 g/mol
Exact Mass121.09
IUPAC Namedicyano(diethyl)boranuide
SMILESCC[B-](C#N)(C#N)CC
InChIInChI=1S/C6H10BN2/c1-3-7(4-2,5-8)6-9/h3-4H2,1-2H3/q-1
InChIKeyWWEOKPHTEZOEFK-UHFFFAOYSA-N
XLogP1.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.97
LogP ≤ 51.60
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 dicyano(diethyl)boranuide?
The IUPAC name of dicyano(diethyl)boranuide (CID 89388981) is dicyano(diethyl)boranuide.
What is the SMILES notation for dicyano(diethyl)boranuide?
The canonical SMILES for dicyano(diethyl)boranuide is CC[B-](C#N)(C#N)CC.
What is the InChIKey of dicyano(diethyl)boranuide?
The InChIKey is WWEOKPHTEZOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BN2/c1-3-7(4-2,5-8)6-9/h3-4H2,1-2H3/q-1.
What are the key properties of dicyano(diethyl)boranuide?
dicyano(diethyl)boranuide has a molecular weight of 120.97 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyano(diethyl)boranuide is sourced from PubChem (CID 89388981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).