CID 178155610

C7H11B2N — CID 178155610

IUPAC—
SMILES[B]C([B])(C)N1CC2(CC2)C1
InChIInChI=1S/C7H11B2N/c1-6(8,9)10-4-7(5-10)2-3-7/h2-5H2,1H3
InChIKeyXVYBGYOYRMCCHY-UHFFFAOYSA-N
MW130.80 g/mol
LogP0.09
Rot. Bonds1

About CID 178155610

CID 178155610 (PubChem CID 178155610) has the molecular formula C7H11B2N and a molecular weight of 130.80 g/mol.

Molecular Properties

Compound NameCID 178155610
PubChem CID178155610
Molecular FormulaC7H11B2N
Molecular Weight130.80 g/mol
Exact Mass131.11
IUPAC Name—
SMILES[B]C([B])(C)N1CC2(CC2)C1
InChIInChI=1S/C7H11B2N/c1-6(8,9)10-4-7(5-10)2-3-7/h2-5H2,1H3
InChIKeyXVYBGYOYRMCCHY-UHFFFAOYSA-N
XLogP0.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.80
LogP ≤ 50.09
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 178155610?
The IUPAC name of CID 178155610 (CID 178155610) is not available.
What is the SMILES notation for CID 178155610?
The canonical SMILES for CID 178155610 is [B]C([B])(C)N1CC2(CC2)C1.
What is the InChIKey of CID 178155610?
The InChIKey is XVYBGYOYRMCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11B2N/c1-6(8,9)10-4-7(5-10)2-3-7/h2-5H2,1H3.
What are the key properties of CID 178155610?
CID 178155610 has a molecular weight of 130.80 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178155610 is sourced from PubChem (CID 178155610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).