N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide

C8H10N2O4 — CID 110460593

IUPACN-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O4/c1-4(11)2-6(12)9-5-3-7(13)10-8(5)14/h5H,2-3H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyXWMFVFKQWZRMLJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.50
Rot. Bonds3

About N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide

N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide (PubChem CID 110460593) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
PubChem CID110460593
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O4/c1-4(11)2-6(12)9-5-3-7(13)10-8(5)14/h5H,2-3H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyXWMFVFKQWZRMLJ-UHFFFAOYSA-N
XLogP-1.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 110479878
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
N-(2,5-dioxopyrrolidin-3-yl)-2-ethylbutanamide
CID 110461449
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
CID 110462006
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
CID 106096164
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide (CID 110460593) is N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide is CC(=O)CC(=O)NC1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide?
The InChIKey is XWMFVFKQWZRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(11)2-6(12)9-5-3-7(13)10-8(5)14/h5H,2-3H2,1H3,(H,9,12)(H,10,13,14).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide?
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide has a molecular weight of 198.18 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide is sourced from PubChem (CID 110460593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).