(3-formamidocyclohexyl)boronic acid

C7H14BNO3 — CID 87651069

IUPAC(3-formamidocyclohexyl)boronic acid
SMILESO=CNC1CCCC(B(O)O)C1
InChIInChI=1S/C7H14BNO3/c10-5-9-7-3-1-2-6(4-7)8(11)12/h5-7,11-12H,1-4H2,(H,9,10)
InChIKeyNTHZIOOETXMNDZ-UHFFFAOYSA-N
MW171.00 g/mol
LogP-0.48
Rot. Bonds3

About (3-formamidocyclohexyl)boronic acid

(3-formamidocyclohexyl)boronic acid (PubChem CID 87651069) has the molecular formula C7H14BNO3 and a molecular weight of 171.00 g/mol. Its IUPAC name is (3-formamidocyclohexyl)boronic acid.

Molecular Properties

Compound Name(3-formamidocyclohexyl)boronic acid
PubChem CID87651069
Molecular FormulaC7H14BNO3
Molecular Weight171.00 g/mol
Exact Mass171.11
IUPAC Name(3-formamidocyclohexyl)boronic acid
SMILESO=CNC1CCCC(B(O)O)C1
InChIInChI=1S/C7H14BNO3/c10-5-9-7-3-1-2-6(4-7)8(11)12/h5-7,11-12H,1-4H2,(H,9,10)
InChIKeyNTHZIOOETXMNDZ-UHFFFAOYSA-N
XLogP-0.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formamidocyclohexyl)boronic acid?
The IUPAC name of (3-formamidocyclohexyl)boronic acid (CID 87651069) is (3-formamidocyclohexyl)boronic acid.
What is the SMILES notation for (3-formamidocyclohexyl)boronic acid?
The canonical SMILES for (3-formamidocyclohexyl)boronic acid is O=CNC1CCCC(B(O)O)C1.
What is the InChIKey of (3-formamidocyclohexyl)boronic acid?
The InChIKey is NTHZIOOETXMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO3/c10-5-9-7-3-1-2-6(4-7)8(11)12/h5-7,11-12H,1-4H2,(H,9,10).
What are the key properties of (3-formamidocyclohexyl)boronic acid?
(3-formamidocyclohexyl)boronic acid has a molecular weight of 171.00 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formamidocyclohexyl)boronic acid is sourced from PubChem (CID 87651069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).