(4-cyanocyclohexen-1-yl)boronic acid

C7H10BNO2 — CID 119084932

IUPAC(4-cyanocyclohexen-1-yl)boronic acid
SMILESN#CC1CC=C(B(O)O)CC1
InChIInChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,10-11H,1-2,4H2
InChIKeyJCJWRLDSRAJZRY-UHFFFAOYSA-N
MW150.97 g/mol
LogP0.25
Rot. Bonds1

About (4-cyanocyclohexen-1-yl)boronic acid

(4-cyanocyclohexen-1-yl)boronic acid (PubChem CID 119084932) has the molecular formula C7H10BNO2 and a molecular weight of 150.97 g/mol. Its IUPAC name is (4-cyanocyclohexen-1-yl)boronic acid.

Molecular Properties

Compound Name(4-cyanocyclohexen-1-yl)boronic acid
PubChem CID119084932
Molecular FormulaC7H10BNO2
Molecular Weight150.97 g/mol
Exact Mass151.08
IUPAC Name(4-cyanocyclohexen-1-yl)boronic acid
SMILESN#CC1CC=C(B(O)O)CC1
InChIInChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,10-11H,1-2,4H2
InChIKeyJCJWRLDSRAJZRY-UHFFFAOYSA-N
XLogP0.25
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 50.25
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-cyanocyclohexen-1-yl)boronic acid?
The IUPAC name of (4-cyanocyclohexen-1-yl)boronic acid (CID 119084932) is (4-cyanocyclohexen-1-yl)boronic acid.
What is the SMILES notation for (4-cyanocyclohexen-1-yl)boronic acid?
The canonical SMILES for (4-cyanocyclohexen-1-yl)boronic acid is N#CC1CC=C(B(O)O)CC1.
What is the InChIKey of (4-cyanocyclohexen-1-yl)boronic acid?
The InChIKey is JCJWRLDSRAJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,10-11H,1-2,4H2.
What are the key properties of (4-cyanocyclohexen-1-yl)boronic acid?
(4-cyanocyclohexen-1-yl)boronic acid has a molecular weight of 150.97 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanocyclohexen-1-yl)boronic acid is sourced from PubChem (CID 119084932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).