CID 89330701

C9H15B2N2O — CID 89330701

IUPAC—
SMILES[B]C(C)(C)C(C)(C)O[B]c1cn[nH]c1
InChIInChI=1S/C9H15B2N2O/c1-8(2,10)9(3,4)14-11-7-5-12-13-6-7/h5-6H,1-4H3,(H,12,13)
InChIKeyYBZNQGPLCQUOLC-UHFFFAOYSA-N
MW188.86 g/mol
LogP0.82
Rot. Bonds4

About CID 89330701

CID 89330701 (PubChem CID 89330701) has the molecular formula C9H15B2N2O and a molecular weight of 188.86 g/mol.

Molecular Properties

Compound NameCID 89330701
PubChem CID89330701
Molecular FormulaC9H15B2N2O
Molecular Weight188.86 g/mol
Exact Mass189.14
IUPAC Name—
SMILES[B]C(C)(C)C(C)(C)O[B]c1cn[nH]c1
InChIInChI=1S/C9H15B2N2O/c1-8(2,10)9(3,4)14-11-7-5-12-13-6-7/h5-6H,1-4H3,(H,12,13)
InChIKeyYBZNQGPLCQUOLC-UHFFFAOYSA-N
XLogP0.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.86
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89330701 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89330701?
The IUPAC name of CID 89330701 (CID 89330701) is not available.
What is the SMILES notation for CID 89330701?
The canonical SMILES for CID 89330701 is [B]C(C)(C)C(C)(C)O[B]c1cn[nH]c1.
What is the InChIKey of CID 89330701?
The InChIKey is YBZNQGPLCQUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15B2N2O/c1-8(2,10)9(3,4)14-11-7-5-12-13-6-7/h5-6H,1-4H3,(H,12,13).
What are the key properties of CID 89330701?
CID 89330701 has a molecular weight of 188.86 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89330701 is sourced from PubChem (CID 89330701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).