CID 147291067

C11H9BNO — CID 147291067

IUPAC—
SMILESO[B]c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H9BNO/c14-12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8,14H
InChIKeyLDWNNEKNNPTIES-UHFFFAOYSA-N
MW182.01 g/mol
LogP0.99
Rot. Bonds2

About CID 147291067

CID 147291067 (PubChem CID 147291067) has the molecular formula C11H9BNO and a molecular weight of 182.01 g/mol.

Molecular Properties

Compound NameCID 147291067
PubChem CID147291067
Molecular FormulaC11H9BNO
Molecular Weight182.01 g/mol
Exact Mass182.08
IUPAC Name—
SMILESO[B]c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H9BNO/c14-12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8,14H
InChIKeyLDWNNEKNNPTIES-UHFFFAOYSA-N
XLogP0.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.01
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 147291067?
The IUPAC name of CID 147291067 (CID 147291067) is not available.
What is the SMILES notation for CID 147291067?
The canonical SMILES for CID 147291067 is O[B]c1ccc(-c2cccnc2)cc1.
What is the InChIKey of CID 147291067?
The InChIKey is LDWNNEKNNPTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BNO/c14-12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8,14H.
What are the key properties of CID 147291067?
CID 147291067 has a molecular weight of 182.01 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147291067 is sourced from PubChem (CID 147291067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).