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

C7H10N2O3 — CID 79942571

IUPAC2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
SMILESCN1CC(=O)N(CC=O)CC1=O
InChIInChI=1S/C7H10N2O3/c1-8-4-7(12)9(2-3-10)5-6(8)11/h3H,2,4-5H2,1H3
InChIKeyBRJJLJPUSZEPBY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.51
Rot. Bonds2

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

2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde (PubChem CID 79942571) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
PubChem CID79942571
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
SMILESCN1CC(=O)N(CC=O)CC1=O
InChIInChI=1S/C7H10N2O3/c1-8-4-7(12)9(2-3-10)5-6(8)11/h3H,2,4-5H2,1H3
InChIKeyBRJJLJPUSZEPBY-UHFFFAOYSA-N
XLogP-1.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.51
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-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde (CID 79942571) is 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde is CN1CC(=O)N(CC=O)CC1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
The InChIKey is BRJJLJPUSZEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-4-7(12)9(2-3-10)5-6(8)11/h3H,2,4-5H2,1H3.
What are the key properties of 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde?
2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde has a molecular weight of 170.17 g/mol, XLogP of -1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 79942571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).