(2,6-dioxopiperidin-1-yl)urea

C6H9N3O3 — CID 19047183

IUPAC(2,6-dioxopiperidin-1-yl)urea
SMILESNC(=O)NN1C(=O)CCCC1=O
InChIInChI=1S/C6H9N3O3/c7-6(12)8-9-4(10)2-1-3-5(9)11/h1-3H2,(H3,7,8,12)
InChIKeyGQOBTBIJIJYTMB-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.89
Rot. Bonds1

About (2,6-dioxopiperidin-1-yl)urea

(2,6-dioxopiperidin-1-yl)urea (PubChem CID 19047183) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (2,6-dioxopiperidin-1-yl)urea.

Molecular Properties

Compound Name(2,6-dioxopiperidin-1-yl)urea
PubChem CID19047183
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(2,6-dioxopiperidin-1-yl)urea
SMILESNC(=O)NN1C(=O)CCCC1=O
InChIInChI=1S/C6H9N3O3/c7-6(12)8-9-4(10)2-1-3-5(9)11/h1-3H2,(H3,7,8,12)
InChIKeyGQOBTBIJIJYTMB-UHFFFAOYSA-N
XLogP-0.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dioxopiperidin-1-yl)urea?
The IUPAC name of (2,6-dioxopiperidin-1-yl)urea (CID 19047183) is (2,6-dioxopiperidin-1-yl)urea.
What is the SMILES notation for (2,6-dioxopiperidin-1-yl)urea?
The canonical SMILES for (2,6-dioxopiperidin-1-yl)urea is NC(=O)NN1C(=O)CCCC1=O.
What is the InChIKey of (2,6-dioxopiperidin-1-yl)urea?
The InChIKey is GQOBTBIJIJYTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c7-6(12)8-9-4(10)2-1-3-5(9)11/h1-3H2,(H3,7,8,12).
What are the key properties of (2,6-dioxopiperidin-1-yl)urea?
(2,6-dioxopiperidin-1-yl)urea has a molecular weight of 171.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-1-yl)urea is sourced from PubChem (CID 19047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).