CID 162763152

C9H12BNO — CID 162763152

IUPAC—
SMILES[B]c1cc(C)cnc1C(C)OC
InChIInChI=1S/C9H12BNO/c1-6-4-8(10)9(11-5-6)7(2)12-3/h4-5,7H,1-3H3
InChIKeyHFXPCLULEHQOLN-UHFFFAOYSA-N
MW161.01 g/mol
LogP0.89
Rot. Bonds2

About CID 162763152

CID 162763152 (PubChem CID 162763152) has the molecular formula C9H12BNO and a molecular weight of 161.01 g/mol.

Molecular Properties

Compound NameCID 162763152
PubChem CID162763152
Molecular FormulaC9H12BNO
Molecular Weight161.01 g/mol
Exact Mass161.10
IUPAC Name—
SMILES[B]c1cc(C)cnc1C(C)OC
InChIInChI=1S/C9H12BNO/c1-6-4-8(10)9(11-5-6)7(2)12-3/h4-5,7H,1-3H3
InChIKeyHFXPCLULEHQOLN-UHFFFAOYSA-N
XLogP0.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.01
LogP ≤ 50.89
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 162763152?
The IUPAC name of CID 162763152 (CID 162763152) is not available.
What is the SMILES notation for CID 162763152?
The canonical SMILES for CID 162763152 is [B]c1cc(C)cnc1C(C)OC.
What is the InChIKey of CID 162763152?
The InChIKey is HFXPCLULEHQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BNO/c1-6-4-8(10)9(11-5-6)7(2)12-3/h4-5,7H,1-3H3.
What are the key properties of CID 162763152?
CID 162763152 has a molecular weight of 161.01 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162763152 is sourced from PubChem (CID 162763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).