4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde

C10H11BrN2O3 — CID 888211

IUPAC4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C10H11BrN2O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6H2
InChIKeyPEKJYANPXRYBPU-UHFFFAOYSA-N
MW287.11 g/mol
LogP0.96
Rot. Bonds2

About 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde

4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 888211) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID888211
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C10H11BrN2O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6H2
InChIKeyPEKJYANPXRYBPU-UHFFFAOYSA-N
XLogP0.96
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 50.96
H-Bond Donors ≤ 50
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 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde (CID 888211) is 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is PEKJYANPXRYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6H2.
What are the key properties of 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde?
4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 287.11 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 888211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).