6-ethenyl-2,3-dihydro-1H-1-benzoborole

C10H11B — CID 170597533

IUPAC6-ethenyl-2,3-dihydro-1H-1-benzoborole
SMILESC=Cc1ccc2c(c1)BCC2
InChIInChI=1S/C10H11B/c1-2-8-3-4-9-5-6-11-10(9)7-8/h2-4,7,11H,1,5-6H2
InChIKeyVHSTVANOEBZRDK-UHFFFAOYSA-N
MW142.01 g/mol
LogP1.37
Rot. Bonds1

About 6-ethenyl-2,3-dihydro-1H-1-benzoborole

6-ethenyl-2,3-dihydro-1H-1-benzoborole (PubChem CID 170597533) has the molecular formula C10H11B and a molecular weight of 142.01 g/mol. Its IUPAC name is 6-ethenyl-2,3-dihydro-1H-1-benzoborole.

Molecular Properties

Compound Name6-ethenyl-2,3-dihydro-1H-1-benzoborole
PubChem CID170597533
Molecular FormulaC10H11B
Molecular Weight142.01 g/mol
Exact Mass142.10
IUPAC Name6-ethenyl-2,3-dihydro-1H-1-benzoborole
SMILESC=Cc1ccc2c(c1)BCC2
InChIInChI=1S/C10H11B/c1-2-8-3-4-9-5-6-11-10(9)7-8/h2-4,7,11H,1,5-6H2
InChIKeyVHSTVANOEBZRDK-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethenyl-2,3-dihydro-1H-1-benzoborole 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

5-ethenyl-2,3-dihydro-1H-indene
CID 59801498
2,6-bis(ethenyl)-9,10-dihydroanthracene
CID 102252812
2-ethenyl-9,10-dihydroanthracene
CID 20739785
7-ethenyl-4-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 145472095
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
5-ethenyl-2,3-dihydroinden-1-imine
CID 134222162
4-ethenylbenzene-1,2-diamine
CID 18400401
2,6-bis(ethenyl)anthracene
CID 102227749
6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849308
1,2-dicyclohexyl-4-ethenylbenzene
CID 23508601
1-cyclohexyl-5-ethenyl-2,3-dihydroindole
CID 66772198

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3-dihydro-1H-1-benzoborole?
The IUPAC name of 6-ethenyl-2,3-dihydro-1H-1-benzoborole (CID 170597533) is 6-ethenyl-2,3-dihydro-1H-1-benzoborole.
What is the SMILES notation for 6-ethenyl-2,3-dihydro-1H-1-benzoborole?
The canonical SMILES for 6-ethenyl-2,3-dihydro-1H-1-benzoborole is C=Cc1ccc2c(c1)BCC2.
What is the InChIKey of 6-ethenyl-2,3-dihydro-1H-1-benzoborole?
The InChIKey is VHSTVANOEBZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11B/c1-2-8-3-4-9-5-6-11-10(9)7-8/h2-4,7,11H,1,5-6H2.
What are the key properties of 6-ethenyl-2,3-dihydro-1H-1-benzoborole?
6-ethenyl-2,3-dihydro-1H-1-benzoborole has a molecular weight of 142.01 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3-dihydro-1H-1-benzoborole is sourced from PubChem (CID 170597533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).