1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea

C7H10N4O4 — CID 143577562

IUPAC1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea
SMILESCNC(=O)NC(=O)NN1C(=O)CCC1=O
InChIInChI=1S/C7H10N4O4/c1-8-6(14)9-7(15)10-11-4(12)2-3-5(11)13/h2-3H2,1H3,(H3,8,9,10,14,15)
InChIKeyNXLYWVJFBINQLV-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.31
Rot. Bonds1

About 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea

1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea (PubChem CID 143577562) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea
PubChem CID143577562
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea
SMILESCNC(=O)NC(=O)NN1C(=O)CCC1=O
InChIInChI=1S/C7H10N4O4/c1-8-6(14)9-7(15)10-11-4(12)2-3-5(11)13/h2-3H2,1H3,(H3,8,9,10,14,15)
InChIKeyNXLYWVJFBINQLV-UHFFFAOYSA-N
XLogP-1.31
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea 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-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
CID 175006917
N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335
4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 827748
(2,6-dioxopiperidin-1-yl)urea
CID 19047183
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
1-(methoxyamino)pyrrolidine-2,5-dione
CID 134473437
3-(2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanoic acid
CID 165486012
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120588
1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
CID 89079228
[2-(methylcarbamoylamino)-2-oxoethyl] 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
CID 7971138

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea (CID 143577562) is 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea is CNC(=O)NC(=O)NN1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea?
The InChIKey is NXLYWVJFBINQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-8-6(14)9-7(15)10-11-4(12)2-3-5(11)13/h2-3H2,1H3,(H3,8,9,10,14,15).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea?
1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea has a molecular weight of 214.18 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)-3-(methylcarbamoyl)urea is sourced from PubChem (CID 143577562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).