CID 57096710

C6H12B2N — CID 57096710

IUPAC—
SMILES[B][B]NC1CCCCC1
InChIInChI=1S/C6H12B2N/c7-8-9-6-4-2-1-3-5-6/h6,9H,1-5H2
InChIKeyNEEOGPGGFNHQQX-UHFFFAOYSA-N
MW119.79 g/mol
LogP0.61
Rot. Bonds2

About CID 57096710

CID 57096710 (PubChem CID 57096710) has the molecular formula C6H12B2N and a molecular weight of 119.79 g/mol.

Molecular Properties

Compound NameCID 57096710
PubChem CID57096710
Molecular FormulaC6H12B2N
Molecular Weight119.79 g/mol
Exact Mass120.12
IUPAC Name—
SMILES[B][B]NC1CCCCC1
InChIInChI=1S/C6H12B2N/c7-8-9-6-4-2-1-3-5-6/h6,9H,1-5H2
InChIKeyNEEOGPGGFNHQQX-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.79
LogP ≤ 50.61
H-Bond Donors ≤ 51
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 57096710?
The IUPAC name of CID 57096710 (CID 57096710) is not available.
What is the SMILES notation for CID 57096710?
The canonical SMILES for CID 57096710 is [B][B]NC1CCCCC1.
What is the InChIKey of CID 57096710?
The InChIKey is NEEOGPGGFNHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12B2N/c7-8-9-6-4-2-1-3-5-6/h6,9H,1-5H2.
What are the key properties of CID 57096710?
CID 57096710 has a molecular weight of 119.79 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57096710 is sourced from PubChem (CID 57096710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).