2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde

C8H12N2O3 — CID 79942303

IUPAC2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde
SMILESCCN1CC(=O)N(CC=O)CC1=O
InChIInChI=1S/C8H12N2O3/c1-2-9-5-8(13)10(3-4-11)6-7(9)12/h4H,2-3,5-6H2,1H3
InChIKeyVSWWZOXULJGEQQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.12
Rot. Bonds3

About 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde

2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde (PubChem CID 79942303) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde
PubChem CID79942303
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde
SMILESCCN1CC(=O)N(CC=O)CC1=O
InChIInChI=1S/C8H12N2O3/c1-2-9-5-8(13)10(3-4-11)6-7(9)12/h4H,2-3,5-6H2,1H3
InChIKeyVSWWZOXULJGEQQ-UHFFFAOYSA-N
XLogP-1.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.12
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 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde (CID 79942303) is 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde is CCN1CC(=O)N(CC=O)CC1=O.
What is the InChIKey of 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The InChIKey is VSWWZOXULJGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-9-5-8(13)10(3-4-11)6-7(9)12/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde has a molecular weight of 184.19 g/mol, XLogP of -1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 79942303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).