potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid

C5H13BKNO3 — CID 174639919

IUPACpotassium;hydride;pyrrolidin-1-ylmethoxyboronic acid
SMILESOB(O)OCN1CCCC1.[H-].[K+]
InChIInChI=1S/C5H12BNO3.K.H/c8-6(9)10-5-7-3-1-2-4-7;;/h8-9H,1-5H2;;/q;+1;-1
InChIKeyUQKQJGUSYYBKOB-UHFFFAOYSA-N
MW185.07 g/mol
LogP-3.86
Rot. Bonds3

About potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid

potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid (PubChem CID 174639919) has the molecular formula C5H13BKNO3 and a molecular weight of 185.07 g/mol. Its IUPAC name is potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid.

Molecular Properties

Compound Namepotassium;hydride;pyrrolidin-1-ylmethoxyboronic acid
PubChem CID174639919
Molecular FormulaC5H13BKNO3
Molecular Weight185.07 g/mol
Exact Mass185.06
IUPAC Namepotassium;hydride;pyrrolidin-1-ylmethoxyboronic acid
SMILESOB(O)OCN1CCCC1.[H-].[K+]
InChIInChI=1S/C5H12BNO3.K.H/c8-6(9)10-5-7-3-1-2-4-7;;/h8-9H,1-5H2;;/q;+1;-1
InChIKeyUQKQJGUSYYBKOB-UHFFFAOYSA-N
XLogP-3.86
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 5-3.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;hydride;pyrrolidin-1-ylmethoxyboronic acid?
The IUPAC name of potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid (CID 174639919) is potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid.
What is the SMILES notation for potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid?
The canonical SMILES for potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid is OB(O)OCN1CCCC1.[H-].[K+].
What is the InChIKey of potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid?
The InChIKey is UQKQJGUSYYBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BNO3.K.H/c8-6(9)10-5-7-3-1-2-4-7;;/h8-9H,1-5H2;;/q;+1;-1.
What are the key properties of potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid?
potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid has a molecular weight of 185.07 g/mol, XLogP of -3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid is sourced from PubChem (CID 174639919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).