CID 166491542

C10H16BN — CID 166491542

IUPAC—
SMILESCC.[B]c1cc(C(C)C)ccn1
InChIInChI=1S/C8H10BN.C2H6/c1-6(2)7-3-4-10-8(9)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyLSUUQMWJPFJOMO-UHFFFAOYSA-N
MW161.06 g/mol
LogP2.03
Rot. Bonds1

About CID 166491542

CID 166491542 (PubChem CID 166491542) has the molecular formula C10H16BN and a molecular weight of 161.06 g/mol.

Molecular Properties

Compound NameCID 166491542
PubChem CID166491542
Molecular FormulaC10H16BN
Molecular Weight161.06 g/mol
Exact Mass161.14
IUPAC Name—
SMILESCC.[B]c1cc(C(C)C)ccn1
InChIInChI=1S/C8H10BN.C2H6/c1-6(2)7-3-4-10-8(9)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyLSUUQMWJPFJOMO-UHFFFAOYSA-N
XLogP2.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 52.03
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 166491542?
The IUPAC name of CID 166491542 (CID 166491542) is not available.
What is the SMILES notation for CID 166491542?
The canonical SMILES for CID 166491542 is CC.[B]c1cc(C(C)C)ccn1.
What is the InChIKey of CID 166491542?
The InChIKey is LSUUQMWJPFJOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN.C2H6/c1-6(2)7-3-4-10-8(9)5-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of CID 166491542?
CID 166491542 has a molecular weight of 161.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166491542 is sourced from PubChem (CID 166491542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).