CID 147795811

C10H11BN — CID 147795811

IUPAC—
SMILESCC(C)C1=Nc2ccccc2[B]1
InChIInChI=1S/C10H11BN/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
InChIKeyIGCBBYDMTOUIOV-UHFFFAOYSA-N
MW156.02 g/mol
LogP1.72
Rot. Bonds1

About CID 147795811

CID 147795811 (PubChem CID 147795811) has the molecular formula C10H11BN and a molecular weight of 156.02 g/mol.

Molecular Properties

Compound NameCID 147795811
PubChem CID147795811
Molecular FormulaC10H11BN
Molecular Weight156.02 g/mol
Exact Mass156.10
IUPAC Name—
SMILESCC(C)C1=Nc2ccccc2[B]1
InChIInChI=1S/C10H11BN/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
InChIKeyIGCBBYDMTOUIOV-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54306132
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Frequently Asked Questions

What is the IUPAC name of CID 147795811?
The IUPAC name of CID 147795811 (CID 147795811) is not available.
What is the SMILES notation for CID 147795811?
The canonical SMILES for CID 147795811 is CC(C)C1=Nc2ccccc2[B]1.
What is the InChIKey of CID 147795811?
The InChIKey is IGCBBYDMTOUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3.
What are the key properties of CID 147795811?
CID 147795811 has a molecular weight of 156.02 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147795811 is sourced from PubChem (CID 147795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).