cyclopropene;phenylboronic acid

C9H11BO2 — CID 175112144

IUPACcyclopropene;phenylboronic acid
SMILESC1=CC1.OB(O)c1ccccc1
InChIInChI=1S/C6H7BO2.C3H4/c8-7(9)6-4-2-1-3-5-6;1-2-3-1/h1-5,8-9H;1-2H,3H2
InChIKeyOKZILKUTUVWOQE-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.31
Rot. Bonds1

About cyclopropene;phenylboronic acid

cyclopropene;phenylboronic acid (PubChem CID 175112144) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is cyclopropene;phenylboronic acid.

Molecular Properties

Compound Namecyclopropene;phenylboronic acid
PubChem CID175112144
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Namecyclopropene;phenylboronic acid
SMILESC1=CC1.OB(O)c1ccccc1
InChIInChI=1S/C6H7BO2.C3H4/c8-7(9)6-4-2-1-3-5-6;1-2-3-1/h1-5,8-9H;1-2H,3H2
InChIKeyOKZILKUTUVWOQE-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropene;phenylboronic acid?
The IUPAC name of cyclopropene;phenylboronic acid (CID 175112144) is cyclopropene;phenylboronic acid.
What is the SMILES notation for cyclopropene;phenylboronic acid?
The canonical SMILES for cyclopropene;phenylboronic acid is C1=CC1.OB(O)c1ccccc1.
What is the InChIKey of cyclopropene;phenylboronic acid?
The InChIKey is OKZILKUTUVWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO2.C3H4/c8-7(9)6-4-2-1-3-5-6;1-2-3-1/h1-5,8-9H;1-2H,3H2.
What are the key properties of cyclopropene;phenylboronic acid?
cyclopropene;phenylboronic acid has a molecular weight of 162.00 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene;phenylboronic acid is sourced from PubChem (CID 175112144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).