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

C9H12N2O3 — CID 60975184

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-3-10-9(14)6(2)11-7(12)4-5-8(11)13/h4-6H,3H2,1-2H3,(H,10,14)
InChIKeyPTZMIDYPCRHSTA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.56
Rot. Bonds3

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

2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide (PubChem CID 60975184) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
PubChem CID60975184
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-3-10-9(14)6(2)11-7(12)4-5-8(11)13/h4-6H,3H2,1-2H3,(H,10,14)
InChIKeyPTZMIDYPCRHSTA-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-(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

Related Compounds

N,N'-propylenebisacrylamide
CID 14877244
N-acryloyl alaninamide
CID 22811246
2-(dimethyl maleimido)-N-ethyl-acrylamide
CID 89310859
N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
1-(2-Aminopropyl)-2,5-dihydro-1h-pyrrol-2-one
CID 129741937
3-(Butylamino)-1-methylpyrrole-2,5-dione
CID 4512328
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
2-(2,5-Dioxopyrrol-1-yl)propanamide
CID 18474177
2-(2,5-Dioxopyrrol-1-yl)hexanamide
CID 18474209
1-[2-(Ethylamino)acetyl]pyrrole-2,5-dione
CID 18967970
2-amino-N-prop-2-enoylpropanamide
CID 20334693

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide (CID 60975184) is 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
The InChIKey is PTZMIDYPCRHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-10-9(14)6(2)11-7(12)4-5-8(11)13/h4-6H,3H2,1-2H3,(H,10,14).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide?
2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 60975184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).