Lithium hydrido(pyrrolidin-1-yl)borate(1-)

C4H8BLiN — CID 23692626

IUPAC—
SMILES[B-]N1CCCC1.[Li+]
InChIInChI=1S/C4H8BN.Li/c5-6-3-1-2-4-6;/h1-4H2;/q-1;+1
InChIKeyVURJQCOSTCRYPU-UHFFFAOYSA-N
MW87.87 g/mol
LogP-2.83
Rot. Bonds

About Lithium hydrido(pyrrolidin-1-yl)borate(1-)

Lithium hydrido(pyrrolidin-1-yl)borate(1-) (PubChem CID 23692626) has the molecular formula C4H8BLiN and a molecular weight of 87.87 g/mol.

Molecular Properties

Compound NameLithium hydrido(pyrrolidin-1-yl)borate(1-)
PubChem CID23692626
Molecular FormulaC4H8BLiN
Molecular Weight87.87 g/mol
Exact Mass88.09
IUPAC Name—
SMILES[B-]N1CCCC1.[Li+]
InChIInChI=1S/C4H8BN.Li/c5-6-3-1-2-4-6;/h1-4H2;/q-1;+1
InChIKeyVURJQCOSTCRYPU-UHFFFAOYSA-N
XLogP-2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.87
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 Lithium hydrido(pyrrolidin-1-yl)borate(1-)?
The IUPAC name of Lithium hydrido(pyrrolidin-1-yl)borate(1-) (CID 23692626) is not available.
What is the SMILES notation for Lithium hydrido(pyrrolidin-1-yl)borate(1-)?
The canonical SMILES for Lithium hydrido(pyrrolidin-1-yl)borate(1-) is [B-]N1CCCC1.[Li+].
What is the InChIKey of Lithium hydrido(pyrrolidin-1-yl)borate(1-)?
The InChIKey is VURJQCOSTCRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BN.Li/c5-6-3-1-2-4-6;/h1-4H2;/q-1;+1.
What are the key properties of Lithium hydrido(pyrrolidin-1-yl)borate(1-)?
Lithium hydrido(pyrrolidin-1-yl)borate(1-) has a molecular weight of 87.87 g/mol, XLogP of -2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium hydrido(pyrrolidin-1-yl)borate(1-) is sourced from PubChem (CID 23692626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).