potassium butyl(tricyano)boranuide

C7H9BKN3 — CID 89389022

IUPACpotassium butyl(tricyano)boranuide
SMILESCCCC[B-](C#N)(C#N)C#N.[K+]
InChIInChI=1S/C7H9BN3.K/c1-2-3-4-8(5-9,6-10)7-11;/h2-4H2,1H3;/q-1;+1
InChIKeyDDYULHYEHYDHRS-UHFFFAOYSA-N
MW185.08 g/mol
LogP-1.57
Rot. Bonds3

About potassium butyl(tricyano)boranuide

potassium butyl(tricyano)boranuide (PubChem CID 89389022) has the molecular formula C7H9BKN3 and a molecular weight of 185.08 g/mol. Its IUPAC name is potassium butyl(tricyano)boranuide.

Molecular Properties

Compound Namepotassium butyl(tricyano)boranuide
PubChem CID89389022
Molecular FormulaC7H9BKN3
Molecular Weight185.08 g/mol
Exact Mass185.05
IUPAC Namepotassium butyl(tricyano)boranuide
SMILESCCCC[B-](C#N)(C#N)C#N.[K+]
InChIInChI=1S/C7H9BN3.K/c1-2-3-4-8(5-9,6-10)7-11;/h2-4H2,1H3;/q-1;+1
InChIKeyDDYULHYEHYDHRS-UHFFFAOYSA-N
XLogP-1.57
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 potassium butyl(tricyano)boranuide?
The IUPAC name of potassium butyl(tricyano)boranuide (CID 89389022) is potassium butyl(tricyano)boranuide.
What is the SMILES notation for potassium butyl(tricyano)boranuide?
The canonical SMILES for potassium butyl(tricyano)boranuide is CCCC[B-](C#N)(C#N)C#N.[K+].
What is the InChIKey of potassium butyl(tricyano)boranuide?
The InChIKey is DDYULHYEHYDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BN3.K/c1-2-3-4-8(5-9,6-10)7-11;/h2-4H2,1H3;/q-1;+1.
What are the key properties of potassium butyl(tricyano)boranuide?
potassium butyl(tricyano)boranuide has a molecular weight of 185.08 g/mol, XLogP of -1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butyl(tricyano)boranuide is sourced from PubChem (CID 89389022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).