[4-(1-cyanocyclopentyl)phenyl]boronic acid

C12H14BNO2 — CID 75485914

IUPAC[4-(1-cyanocyclopentyl)phenyl]boronic acid
SMILESN#CC1(c2ccc(B(O)O)cc2)CCCC1
InChIInChI=1S/C12H14BNO2/c14-9-12(7-1-2-8-12)10-3-5-11(6-4-10)13(15)16/h3-6,15-16H,1-2,7-8H2
InChIKeyZNINYILPLNZOEJ-UHFFFAOYSA-N
MW215.06 g/mol
LogP0.70
Rot. Bonds2

About [4-(1-cyanocyclopentyl)phenyl]boronic acid

[4-(1-cyanocyclopentyl)phenyl]boronic acid (PubChem CID 75485914) has the molecular formula C12H14BNO2 and a molecular weight of 215.06 g/mol. Its IUPAC name is [4-(1-cyanocyclopentyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(1-cyanocyclopentyl)phenyl]boronic acid
PubChem CID75485914
Molecular FormulaC12H14BNO2
Molecular Weight215.06 g/mol
Exact Mass215.11
IUPAC Name[4-(1-cyanocyclopentyl)phenyl]boronic acid
SMILESN#CC1(c2ccc(B(O)O)cc2)CCCC1
InChIInChI=1S/C12H14BNO2/c14-9-12(7-1-2-8-12)10-3-5-11(6-4-10)13(15)16/h3-6,15-16H,1-2,7-8H2
InChIKeyZNINYILPLNZOEJ-UHFFFAOYSA-N
XLogP0.70
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 [4-(1-cyanocyclopentyl)phenyl]boronic acid?
The IUPAC name of [4-(1-cyanocyclopentyl)phenyl]boronic acid (CID 75485914) is [4-(1-cyanocyclopentyl)phenyl]boronic acid.
What is the SMILES notation for [4-(1-cyanocyclopentyl)phenyl]boronic acid?
The canonical SMILES for [4-(1-cyanocyclopentyl)phenyl]boronic acid is N#CC1(c2ccc(B(O)O)cc2)CCCC1.
What is the InChIKey of [4-(1-cyanocyclopentyl)phenyl]boronic acid?
The InChIKey is ZNINYILPLNZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BNO2/c14-9-12(7-1-2-8-12)10-3-5-11(6-4-10)13(15)16/h3-6,15-16H,1-2,7-8H2.
What are the key properties of [4-(1-cyanocyclopentyl)phenyl]boronic acid?
[4-(1-cyanocyclopentyl)phenyl]boronic acid has a molecular weight of 215.06 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyanocyclopentyl)phenyl]boronic acid is sourced from PubChem (CID 75485914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).