CID 174101928

C9H12BN — CID 174101928

IUPAC—
SMILES[B]c1cc(C)ncc1C(C)C
InChIInChI=1S/C9H12BN/c1-6(2)8-5-11-7(3)4-9(8)10/h4-6H,1-3H3
InChIKeyGAIIWMOKUUYUSI-UHFFFAOYSA-N
MW145.01 g/mol
LogP1.31
Rot. Bonds1

About CID 174101928

CID 174101928 (PubChem CID 174101928) has the molecular formula C9H12BN and a molecular weight of 145.01 g/mol.

Molecular Properties

Compound NameCID 174101928
PubChem CID174101928
Molecular FormulaC9H12BN
Molecular Weight145.01 g/mol
Exact Mass145.11
IUPAC Name—
SMILES[B]c1cc(C)ncc1C(C)C
InChIInChI=1S/C9H12BN/c1-6(2)8-5-11-7(3)4-9(8)10/h4-6H,1-3H3
InChIKeyGAIIWMOKUUYUSI-UHFFFAOYSA-N
XLogP1.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.01
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 174101928?
The IUPAC name of CID 174101928 (CID 174101928) is not available.
What is the SMILES notation for CID 174101928?
The canonical SMILES for CID 174101928 is [B]c1cc(C)ncc1C(C)C.
What is the InChIKey of CID 174101928?
The InChIKey is GAIIWMOKUUYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BN/c1-6(2)8-5-11-7(3)4-9(8)10/h4-6H,1-3H3.
What are the key properties of CID 174101928?
CID 174101928 has a molecular weight of 145.01 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174101928 is sourced from PubChem (CID 174101928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).