CID 88997188

C6H12BN — CID 88997188

IUPAC—
SMILES[B]CN1CCCCC1
InChIInChI=1S/C6H12BN/c7-6-8-4-2-1-3-5-8/h1-6H2
InChIKeyFORQSBVKAQPLJO-UHFFFAOYSA-N
MW108.98 g/mol
LogP0.60
Rot. Bonds1

About CID 88997188

CID 88997188 (PubChem CID 88997188) has the molecular formula C6H12BN and a molecular weight of 108.98 g/mol.

Molecular Properties

Compound NameCID 88997188
PubChem CID88997188
Molecular FormulaC6H12BN
Molecular Weight108.98 g/mol
Exact Mass109.11
IUPAC Name—
SMILES[B]CN1CCCCC1
InChIInChI=1S/C6H12BN/c7-6-8-4-2-1-3-5-8/h1-6H2
InChIKeyFORQSBVKAQPLJO-UHFFFAOYSA-N
XLogP0.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.98
LogP ≤ 50.60
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 88997188?
The IUPAC name of CID 88997188 (CID 88997188) is not available.
What is the SMILES notation for CID 88997188?
The canonical SMILES for CID 88997188 is [B]CN1CCCCC1.
What is the InChIKey of CID 88997188?
The InChIKey is FORQSBVKAQPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BN/c7-6-8-4-2-1-3-5-8/h1-6H2.
What are the key properties of CID 88997188?
CID 88997188 has a molecular weight of 108.98 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88997188 is sourced from PubChem (CID 88997188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).