3-cyclohex-3-en-1-ylimidazolidine-2,4-dione

C9H12N2O2 — CID 103936459

IUPAC3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CC=CCC1
InChIInChI=1S/C9H12N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13)
InChIKeyPIUITDUHVBKCAP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.65
Rot. Bonds1

About 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione

3-cyclohex-3-en-1-ylimidazolidine-2,4-dione (PubChem CID 103936459) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
PubChem CID103936459
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CC=CCC1
InChIInChI=1S/C9H12N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13)
InChIKeyPIUITDUHVBKCAP-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohex-3-en-1-ylisoindole-1,3-dione
CID 67304537
3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
3-[1-(1-cyclopropylethyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183992
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601136
3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121184058
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
CID 64955845
3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121184056
3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159463

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione (CID 103936459) is 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione is O=C1CNC(=O)N1C1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione?
The InChIKey is PIUITDUHVBKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,10,13).
What are the key properties of 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione?
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 103936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).