CID 158685619

C2H6BNNi — CID 158685619

IUPAC—
SMILES[B]N(C)C.[Ni]
InChIInChI=1S/C2H6BN.Ni/c1-4(2)3;/h1-2H3;
InChIKeyNAABSLIYLNVGJV-UHFFFAOYSA-N
MW113.58 g/mol
LogP-0.37
Rot. Bonds

About CID 158685619

CID 158685619 (PubChem CID 158685619) has the molecular formula C2H6BNNi and a molecular weight of 113.58 g/mol.

Molecular Properties

Compound NameCID 158685619
PubChem CID158685619
Molecular FormulaC2H6BNNi
Molecular Weight113.58 g/mol
Exact Mass112.99
IUPAC Name—
SMILES[B]N(C)C.[Ni]
InChIInChI=1S/C2H6BN.Ni/c1-4(2)3;/h1-2H3;
InChIKeyNAABSLIYLNVGJV-UHFFFAOYSA-N
XLogP-0.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.58
LogP ≤ 5-0.37
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 CID 158685619?
The IUPAC name of CID 158685619 (CID 158685619) is not available.
What is the SMILES notation for CID 158685619?
The canonical SMILES for CID 158685619 is [B]N(C)C.[Ni].
What is the InChIKey of CID 158685619?
The InChIKey is NAABSLIYLNVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BN.Ni/c1-4(2)3;/h1-2H3;.
What are the key properties of CID 158685619?
CID 158685619 has a molecular weight of 113.58 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158685619 is sourced from PubChem (CID 158685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).