(2,5-dioxopyrrol-1-yl)urea

C5H5N3O3 — CID 22915580

IUPAC(2,5-dioxopyrrol-1-yl)urea
SMILESNC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C5H5N3O3/c6-5(11)7-8-3(9)1-2-4(8)10/h1-2H,(H3,6,7,11)
InChIKeyWMUCWHLEUXTKTR-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.51
Rot. Bonds1

About (2,5-dioxopyrrol-1-yl)urea

(2,5-dioxopyrrol-1-yl)urea (PubChem CID 22915580) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)urea.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)urea
PubChem CID22915580
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name(2,5-dioxopyrrol-1-yl)urea
SMILESNC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C5H5N3O3/c6-5(11)7-8-3(9)1-2-4(8)10/h1-2H,(H3,6,7,11)
InChIKeyWMUCWHLEUXTKTR-UHFFFAOYSA-N
XLogP-1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-1H-pyrrole-2,5-dione
CID 574322
3,6-Pyridazinedione, 1-acetyl-1,2-dihydro-
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N-Acryloyl-N'-cyanoacetohydrazide
CID 102091759
1-(3-Methyl-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)urea
CID 241447
N-(2,5-dioxopyrrol-1-yl)acetamide
CID 12289920
1-(Methylamino)pyrrole-2,5-dione
CID 13828990
1-Amino-1H-pyrrole-2,5-dione hydrochloride
CID 20213811
(2,5-Dioxopyrrol-1-yl)cyanamide
CID 57130435
N-(2,5-dioxopyrrol-1-yl)propanamide
CID 67444117
(2,5-Dioxopyrrol-1-yl)thiourea
CID 88519382
N-(2,5-dioxopyrrol-1-yl)prop-2-enamide
CID 102422194
N-(2,5-dioxopyrrol-1-yl)formamide
CID 146613750

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)urea?
The IUPAC name of (2,5-dioxopyrrol-1-yl)urea (CID 22915580) is (2,5-dioxopyrrol-1-yl)urea.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)urea?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)urea is NC(=O)NN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)urea?
The InChIKey is WMUCWHLEUXTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-5(11)7-8-3(9)1-2-4(8)10/h1-2H,(H3,6,7,11).
What are the key properties of (2,5-dioxopyrrol-1-yl)urea?
(2,5-dioxopyrrol-1-yl)urea has a molecular weight of 155.11 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)urea is sourced from PubChem (CID 22915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).