3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide

C9H12N2O3 — CID 21299486

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,2,5-6H2,1H3,(H,10,12)
InChIKeyUFVBSKIAZAFIOS-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.56
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide

3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide (PubChem CID 21299486) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
PubChem CID21299486
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,2,5-6H2,1H3,(H,10,12)
InChIKeyUFVBSKIAZAFIOS-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.56
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)-N-ethylpropanamide 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)-N-ethylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide (CID 21299486) is 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
The InChIKey is UFVBSKIAZAFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.56, 4 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)-N-ethylpropanamide is sourced from PubChem (CID 21299486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).