1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one

C10H9BO3 — CID 129011355

IUPAC1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
SMILESO=C1CCc2c1ccc1c2B(O)OC1
InChIInChI=1S/C10H9BO3/c12-9-4-3-8-7(9)2-1-6-5-14-11(13)10(6)8/h1-2,13H,3-5H2
InChIKeyILZISGAMVFLFJK-UHFFFAOYSA-N
MW187.99 g/mol
LogP0.03
Rot. Bonds

About 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one

1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one (PubChem CID 129011355) has the molecular formula C10H9BO3 and a molecular weight of 187.99 g/mol. Its IUPAC name is 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one.

Molecular Properties

Compound Name1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
PubChem CID129011355
Molecular FormulaC10H9BO3
Molecular Weight187.99 g/mol
Exact Mass188.06
IUPAC Name1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
SMILESO=C1CCc2c1ccc1c2B(O)OC1
InChIInChI=1S/C10H9BO3/c12-9-4-3-8-7(9)2-1-6-5-14-11(13)10(6)8/h1-2,13H,3-5H2
InChIKeyILZISGAMVFLFJK-UHFFFAOYSA-N
XLogP0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.99
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one?
The IUPAC name of 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one (CID 129011355) is 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one.
What is the SMILES notation for 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one?
The canonical SMILES for 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one is O=C1CCc2c1ccc1c2B(O)OC1.
What is the InChIKey of 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one?
The InChIKey is ILZISGAMVFLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO3/c12-9-4-3-8-7(9)2-1-6-5-14-11(13)10(6)8/h1-2,13H,3-5H2.
What are the key properties of 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one?
1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one has a molecular weight of 187.99 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one is sourced from PubChem (CID 129011355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).