3-(2,5-dioxopyrrol-1-yl)propanamide

C7H8N2O3 — CID 43553619

IUPAC3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2H,3-4H2,(H2,8,10)
InChIKeyQLMKIWQIZQHVHO-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.21
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)propanamide

3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 43553619) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID43553619
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2H,3-4H2,(H2,8,10)
InChIKeyQLMKIWQIZQHVHO-UHFFFAOYSA-N
XLogP-1.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)propanamide 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 3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanamide (CID 43553619) is 3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanamide is NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is QLMKIWQIZQHVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2H,3-4H2,(H2,8,10).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanamide?
3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 168.15 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 43553619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).