5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione

C10H12N2O3 — CID 59360738

IUPAC5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC2CCC=CC2=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7/h2,4,6-7H,1,3,5H2,(H2,11,12,14,15)
InChIKeyDLPTXQICDHIEOS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.12
Rot. Bonds2

About 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione

5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 59360738) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID59360738
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC2CCC=CC2=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7/h2,4,6-7H,1,3,5H2,(H2,11,12,14,15)
InChIKeyDLPTXQICDHIEOS-UHFFFAOYSA-N
XLogP0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione (CID 59360738) is 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CC2CCC=CC2=O)N1.
What is the InChIKey of 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DLPTXQICDHIEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7/h2,4,6-7H,1,3,5H2,(H2,11,12,14,15).
What are the key properties of 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione?
5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxocyclohex-3-en-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59360738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).