2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde

C6H7NO3 — CID 18769597

IUPAC2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1C(=O)CCC1=O
InChIInChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h4H,1-3H2
InChIKeyWWNROKMSDUGWSV-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.67
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde

2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde (PubChem CID 18769597) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde
PubChem CID18769597
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1C(=O)CCC1=O
InChIInChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h4H,1-3H2
InChIKeyWWNROKMSDUGWSV-UHFFFAOYSA-N
XLogP-0.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde (CID 18769597) is 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde is O=CCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde?
The InChIKey is WWNROKMSDUGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h4H,1-3H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde?
2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde has a molecular weight of 141.13 g/mol, XLogP of -0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde is sourced from PubChem (CID 18769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).