CID 173480029

C5H8BO — CID 173480029

IUPAC—
SMILESO[B]C1=CCCC1
InChIInChI=1S/C5H8BO/c7-6-5-3-1-2-4-5/h3,7H,1-2,4H2
InChIKeyGYUZOFUMJRALGA-UHFFFAOYSA-N
MW94.93 g/mol
LogP0.67
Rot. Bonds1

About CID 173480029

CID 173480029 (PubChem CID 173480029) has the molecular formula C5H8BO and a molecular weight of 94.93 g/mol.

Molecular Properties

Compound NameCID 173480029
PubChem CID173480029
Molecular FormulaC5H8BO
Molecular Weight94.93 g/mol
Exact Mass95.07
IUPAC Name—
SMILESO[B]C1=CCCC1
InChIInChI=1S/C5H8BO/c7-6-5-3-1-2-4-5/h3,7H,1-2,4H2
InChIKeyGYUZOFUMJRALGA-UHFFFAOYSA-N
XLogP0.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.93
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 173480029 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 58385968
CID 58385968
cyclopenten-1-yl(trihydroxy)silane
CID 68777198
1-tert-butylcyclopentene
CID 13414410
CID 58718212
CID 58718212
cyclopentenylsilane
CID 57321260
1-tert-butylcyclopentene;methane
CID 160666410
di(cyclopenten-1-yl)mercury
CID 14264685
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 172811458
1-[1-(cyclopenten-1-yl)prop-1-enyl]cyclopentene
CID 140988630
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
bicyclo[5.2.2]undeca-1,6-diene
CID 71408872

Frequently Asked Questions

What is the IUPAC name of CID 173480029?
The IUPAC name of CID 173480029 (CID 173480029) is not available.
What is the SMILES notation for CID 173480029?
The canonical SMILES for CID 173480029 is O[B]C1=CCCC1.
What is the InChIKey of CID 173480029?
The InChIKey is GYUZOFUMJRALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BO/c7-6-5-3-1-2-4-5/h3,7H,1-2,4H2.
What are the key properties of CID 173480029?
CID 173480029 has a molecular weight of 94.93 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173480029 is sourced from PubChem (CID 173480029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).