CID 89343418

C10H9BN2O — CID 89343418

IUPAC—
SMILES[B]CCOc1nccc2cnccc12
InChIInChI=1S/C10H9BN2O/c11-3-6-14-10-9-2-4-12-7-8(9)1-5-13-10/h1-2,4-5,7H,3,6H2
InChIKeyKXFIJRHCPSEBTI-UHFFFAOYSA-N
MW184.01 g/mol
LogP1.60
Rot. Bonds3

About CID 89343418

CID 89343418 (PubChem CID 89343418) has the molecular formula C10H9BN2O and a molecular weight of 184.01 g/mol.

Molecular Properties

Compound NameCID 89343418
PubChem CID89343418
Molecular FormulaC10H9BN2O
Molecular Weight184.01 g/mol
Exact Mass184.08
IUPAC Name—
SMILES[B]CCOc1nccc2cnccc12
InChIInChI=1S/C10H9BN2O/c11-3-6-14-10-9-2-4-12-7-8(9)1-5-13-10/h1-2,4-5,7H,3,6H2
InChIKeyKXFIJRHCPSEBTI-UHFFFAOYSA-N
XLogP1.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.01
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 89343418?
The IUPAC name of CID 89343418 (CID 89343418) is not available.
What is the SMILES notation for CID 89343418?
The canonical SMILES for CID 89343418 is [B]CCOc1nccc2cnccc12.
What is the InChIKey of CID 89343418?
The InChIKey is KXFIJRHCPSEBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BN2O/c11-3-6-14-10-9-2-4-12-7-8(9)1-5-13-10/h1-2,4-5,7H,3,6H2.
What are the key properties of CID 89343418?
CID 89343418 has a molecular weight of 184.01 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89343418 is sourced from PubChem (CID 89343418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).