CID 89018260

C8H10BN — CID 89018260

IUPAC—
SMILES[B]c1ccccc1CCN
InChIInChI=1S/C8H10BN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeySYEGQZCUUNRANY-UHFFFAOYSA-N
MW130.99 g/mol
LogP-0.02
Rot. Bonds2

About CID 89018260

CID 89018260 (PubChem CID 89018260) has the molecular formula C8H10BN and a molecular weight of 130.99 g/mol.

Molecular Properties

Compound NameCID 89018260
PubChem CID89018260
Molecular FormulaC8H10BN
Molecular Weight130.99 g/mol
Exact Mass131.09
IUPAC Name—
SMILES[B]c1ccccc1CCN
InChIInChI=1S/C8H10BN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeySYEGQZCUUNRANY-UHFFFAOYSA-N
XLogP-0.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.99
LogP ≤ 5-0.02
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 89018260?
The IUPAC name of CID 89018260 (CID 89018260) is not available.
What is the SMILES notation for CID 89018260?
The canonical SMILES for CID 89018260 is [B]c1ccccc1CCN.
What is the InChIKey of CID 89018260?
The InChIKey is SYEGQZCUUNRANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2.
What are the key properties of CID 89018260?
CID 89018260 has a molecular weight of 130.99 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89018260 is sourced from PubChem (CID 89018260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).