CID 89426860

C8H10BNO — CID 89426860

IUPAC—
SMILES[B]c1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C8H10BNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChIKeyFOGMCOFWCZPAKW-UHFFFAOYSA-N
MW146.99 g/mol
LogP0.22
Rot. Bonds1

About CID 89426860

CID 89426860 (PubChem CID 89426860) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 89426860
PubChem CID89426860
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]c1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C8H10BNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChIKeyFOGMCOFWCZPAKW-UHFFFAOYSA-N
XLogP0.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.99
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 89426860?
The IUPAC name of CID 89426860 (CID 89426860) is not available.
What is the SMILES notation for CID 89426860?
The canonical SMILES for CID 89426860 is [B]c1ccc(=O)n(C(C)C)c1.
What is the InChIKey of CID 89426860?
The InChIKey is FOGMCOFWCZPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3.
What are the key properties of CID 89426860?
CID 89426860 has a molecular weight of 146.99 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89426860 is sourced from PubChem (CID 89426860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).