4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide

C8H8N2O4 — CID 154928995

IUPAC4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O4/c9-5(11)1-2-6(12)10-7(13)3-4-8(10)14/h3-4H,1-2H2,(H2,9,11)
InChIKeyMBIYFOIBPFWZRS-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.30
Rot. Bonds3

About 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide

4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide (PubChem CID 154928995) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide
PubChem CID154928995
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O4/c9-5(11)1-2-6(12)10-7(13)3-4-8(10)14/h3-4H,1-2H2,(H2,9,11)
InChIKeyMBIYFOIBPFWZRS-UHFFFAOYSA-N
XLogP-1.30
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Maleimidoethylacetamide
CID 17867096
1-Methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19793657
Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
Butanamide;pyrrole-2,5-dione
CID 69042971
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
4-(2,5-Dioxopyrrol-1-yl)butanamide;molecular hydrogen
CID 143783592
Ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 159107221
N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 159614387
1-Acetylpyrrole-2,5-dione;oxocobalt;pyrrolidin-1-ide-2,5-dione
CID 173547332
N'-prop-2-enoylbutanediamide
CID 85679721

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide (CID 154928995) is 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide is NC(=O)CCC(=O)N1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide?
The InChIKey is MBIYFOIBPFWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c9-5(11)1-2-6(12)10-7(13)3-4-8(10)14/h3-4H,1-2H2,(H2,9,11).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide?
4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide has a molecular weight of 196.16 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 154928995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).