5-bromofuran-2-carbaldehyde;cyclohexanamine

C11H16BrNO2 — CID 23291819

IUPAC5-bromofuran-2-carbaldehyde;cyclohexanamine
SMILESNC1CCCCC1.O=Cc1ccc(Br)o1
InChIInChI=1S/C6H13N.C5H3BrO2/c7-6-4-2-1-3-5-6;6-5-2-1-4(3-7)8-5/h6H,1-5,7H2;1-3H
InChIKeyJHHMCOMCTFNOQE-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.13
Rot. Bonds1

About 5-bromofuran-2-carbaldehyde;cyclohexanamine

5-bromofuran-2-carbaldehyde;cyclohexanamine (PubChem CID 23291819) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromofuran-2-carbaldehyde;cyclohexanamine.

Molecular Properties

Compound Name5-bromofuran-2-carbaldehyde;cyclohexanamine
PubChem CID23291819
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromofuran-2-carbaldehyde;cyclohexanamine
SMILESNC1CCCCC1.O=Cc1ccc(Br)o1
InChIInChI=1S/C6H13N.C5H3BrO2/c7-6-4-2-1-3-5-6;6-5-2-1-4(3-7)8-5/h6H,1-5,7H2;1-3H
InChIKeyJHHMCOMCTFNOQE-UHFFFAOYSA-N
XLogP3.13
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromofuran-2-carbaldehyde;cyclohexanamine?
The IUPAC name of 5-bromofuran-2-carbaldehyde;cyclohexanamine (CID 23291819) is 5-bromofuran-2-carbaldehyde;cyclohexanamine.
What is the SMILES notation for 5-bromofuran-2-carbaldehyde;cyclohexanamine?
The canonical SMILES for 5-bromofuran-2-carbaldehyde;cyclohexanamine is NC1CCCCC1.O=Cc1ccc(Br)o1.
What is the InChIKey of 5-bromofuran-2-carbaldehyde;cyclohexanamine?
The InChIKey is JHHMCOMCTFNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H3BrO2/c7-6-4-2-1-3-5-6;6-5-2-1-4(3-7)8-5/h6H,1-5,7H2;1-3H.
What are the key properties of 5-bromofuran-2-carbaldehyde;cyclohexanamine?
5-bromofuran-2-carbaldehyde;cyclohexanamine has a molecular weight of 274.16 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromofuran-2-carbaldehyde;cyclohexanamine is sourced from PubChem (CID 23291819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).