3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione

C7H9N3O3 — CID 106186467

IUPAC3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
SMILESO=C1CC(N2C(=O)CNC2=O)CN1
InChIInChI=1S/C7H9N3O3/c11-5-1-4(2-8-5)10-6(12)3-9-7(10)13/h4H,1-3H2,(H,8,11)(H,9,13)
InChIKeyGTDAZNLNVAYXTI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.57
Rot. Bonds1

About 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione

3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione (PubChem CID 106186467) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
PubChem CID106186467
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
SMILESO=C1CC(N2C(=O)CNC2=O)CN1
InChIInChI=1S/C7H9N3O3/c11-5-1-4(2-8-5)10-6(12)3-9-7(10)13/h4H,1-3H2,(H,8,11)(H,9,13)
InChIKeyGTDAZNLNVAYXTI-UHFFFAOYSA-N
XLogP-1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
CID 103936459
3-[1-(2-methylpropyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183950
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509
(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
CID 51893373
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one
CID 106186464
3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121184056

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione (CID 106186467) is 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione is O=C1CC(N2C(=O)CNC2=O)CN1.
What is the InChIKey of 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione?
The InChIKey is GTDAZNLNVAYXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5-1-4(2-8-5)10-6(12)3-9-7(10)13/h4H,1-3H2,(H,8,11)(H,9,13).
What are the key properties of 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione?
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione has a molecular weight of 183.17 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 106186467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).