CID 157284336

C14H23BN — CID 157284336

IUPAC—
SMILESCC.CC(C)(C)C.[B]1C=Nc2ccccc21
InChIInChI=1S/C7H5BN.C5H12.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;1-2/h1-5H;1-4H3;1-2H3
InChIKeyFFHHHZJVHGIUGE-UHFFFAOYSA-N
MW216.16 g/mol
LogP3.77
Rot. Bonds

About CID 157284336

CID 157284336 (PubChem CID 157284336) has the molecular formula C14H23BN and a molecular weight of 216.16 g/mol.

Molecular Properties

Compound NameCID 157284336
PubChem CID157284336
Molecular FormulaC14H23BN
Molecular Weight216.16 g/mol
Exact Mass216.19
IUPAC Name—
SMILESCC.CC(C)(C)C.[B]1C=Nc2ccccc21
InChIInChI=1S/C7H5BN.C5H12.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;1-2/h1-5H;1-4H3;1-2H3
InChIKeyFFHHHZJVHGIUGE-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 53.77
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 157284336?
The IUPAC name of CID 157284336 (CID 157284336) is not available.
What is the SMILES notation for CID 157284336?
The canonical SMILES for CID 157284336 is CC.CC(C)(C)C.[B]1C=Nc2ccccc21.
What is the InChIKey of CID 157284336?
The InChIKey is FFHHHZJVHGIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BN.C5H12.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;1-2/h1-5H;1-4H3;1-2H3.
What are the key properties of CID 157284336?
CID 157284336 has a molecular weight of 216.16 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157284336 is sourced from PubChem (CID 157284336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).