4-(2,5-dioxopyrrol-3-yl)butanamide

C8H10N2O3 — CID 24826319

IUPAC4-(2,5-dioxopyrrol-3-yl)butanamide
SMILESNC(=O)CCCC1=CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c9-6(11)3-1-2-5-4-7(12)10-8(5)13/h4H,1-3H2,(H2,9,11)(H,10,12,13)
InChIKeyOAHYRCNNGIMKQL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.78
Rot. Bonds4

About 4-(2,5-dioxopyrrol-3-yl)butanamide

4-(2,5-dioxopyrrol-3-yl)butanamide (PubChem CID 24826319) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-3-yl)butanamide
PubChem CID24826319
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(2,5-dioxopyrrol-3-yl)butanamide
SMILESNC(=O)CCCC1=CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c9-6(11)3-1-2-5-4-7(12)10-8(5)13/h4H,1-3H2,(H2,9,11)(H,10,12,13)
InChIKeyOAHYRCNNGIMKQL-UHFFFAOYSA-N
XLogP-0.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrol-3-yl)butanamide 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

Urea, 1-(2-ethylidenehexanoyl)-
CID 6437787
N-tert-butylcyclopentene-1-carboxamide
CID 15647929
3-Octadecylpyrrole-2,5-dione
CID 19810759
Butylmaleimide
CID 21880474
Propyl maleimide
CID 21880478
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
Hexamethylene-bis-maleimide
CID 22989081
Dimethylaminopropylmaleimide
CID 66615976
3-Cyclopropyl-1h-pyrrole-2,5-dione
CID 67625736
3-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)pyrrole-2,5-dione
CID 87178123

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-3-yl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-3-yl)butanamide (CID 24826319) is 4-(2,5-dioxopyrrol-3-yl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-3-yl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-3-yl)butanamide is NC(=O)CCCC1=CC(=O)NC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-3-yl)butanamide?
The InChIKey is OAHYRCNNGIMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(11)3-1-2-5-4-7(12)10-8(5)13/h4H,1-3H2,(H2,9,11)(H,10,12,13).
What are the key properties of 4-(2,5-dioxopyrrol-3-yl)butanamide?
4-(2,5-dioxopyrrol-3-yl)butanamide has a molecular weight of 182.18 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-3-yl)butanamide is sourced from PubChem (CID 24826319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).