CID 144576236

C11H18BN2O2 — CID 144576236

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1cncc(N)c1
InChIInChI=1S/C11H18BN2O2/c1-10(2,15)11(3,4)16-12-8-5-9(13)7-14-6-8/h5-7,15H,13H2,1-4H3
InChIKeyDSWWZWGEDWTJJE-UHFFFAOYSA-N
MW221.09 g/mol
LogP0.47
Rot. Bonds4

About CID 144576236

CID 144576236 (PubChem CID 144576236) has the molecular formula C11H18BN2O2 and a molecular weight of 221.09 g/mol.

Molecular Properties

Compound NameCID 144576236
PubChem CID144576236
Molecular FormulaC11H18BN2O2
Molecular Weight221.09 g/mol
Exact Mass221.15
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1cncc(N)c1
InChIInChI=1S/C11H18BN2O2/c1-10(2,15)11(3,4)16-12-8-5-9(13)7-14-6-8/h5-7,15H,13H2,1-4H3
InChIKeyDSWWZWGEDWTJJE-UHFFFAOYSA-N
XLogP0.47
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 144576236 with MolForge

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

Launch Full Analysis

Related Compounds

CID 170746470
CID 170746470
CID 149340390
CID 149340390
CID 156812428
CID 156812428
CID 171527286
CID 171527286
CID 144627946
CID 144627946
CID 90210869
CID 90210869
CID 156812408
CID 156812408
CID 176701672
CID 176701672
CID 68616606
CID 68616606
CID 147254181
CID 147254181
CID 90089006
CID 90089006
CID 142296837
CID 142296837

Frequently Asked Questions

What is the IUPAC name of CID 144576236?
The IUPAC name of CID 144576236 (CID 144576236) is not available.
What is the SMILES notation for CID 144576236?
The canonical SMILES for CID 144576236 is CC(C)(O)C(C)(C)O[B]c1cncc(N)c1.
What is the InChIKey of CID 144576236?
The InChIKey is DSWWZWGEDWTJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BN2O2/c1-10(2,15)11(3,4)16-12-8-5-9(13)7-14-6-8/h5-7,15H,13H2,1-4H3.
What are the key properties of CID 144576236?
CID 144576236 has a molecular weight of 221.09 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144576236 is sourced from PubChem (CID 144576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).