CID 89334130

C8H15BN2O — CID 89334130

IUPAC—
SMILES[B]N(CC)C1CCN(CC)C1=O
InChIInChI=1S/C8H15BN2O/c1-3-10-6-5-7(8(10)12)11(9)4-2/h7H,3-6H2,1-2H3
InChIKeyUWBAEJIUBASJCT-UHFFFAOYSA-N
MW166.03 g/mol
LogP0.01
Rot. Bonds3

About CID 89334130

CID 89334130 (PubChem CID 89334130) has the molecular formula C8H15BN2O and a molecular weight of 166.03 g/mol.

Molecular Properties

Compound NameCID 89334130
PubChem CID89334130
Molecular FormulaC8H15BN2O
Molecular Weight166.03 g/mol
Exact Mass166.13
IUPAC Name—
SMILES[B]N(CC)C1CCN(CC)C1=O
InChIInChI=1S/C8H15BN2O/c1-3-10-6-5-7(8(10)12)11(9)4-2/h7H,3-6H2,1-2H3
InChIKeyUWBAEJIUBASJCT-UHFFFAOYSA-N
XLogP0.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.03
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89334130 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 89334130?
The IUPAC name of CID 89334130 (CID 89334130) is not available.
What is the SMILES notation for CID 89334130?
The canonical SMILES for CID 89334130 is [B]N(CC)C1CCN(CC)C1=O.
What is the InChIKey of CID 89334130?
The InChIKey is UWBAEJIUBASJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BN2O/c1-3-10-6-5-7(8(10)12)11(9)4-2/h7H,3-6H2,1-2H3.
What are the key properties of CID 89334130?
CID 89334130 has a molecular weight of 166.03 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89334130 is sourced from PubChem (CID 89334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).