spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione

C12H10N2O4 — CID 15572730

IUPACspiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc4c(cc32)OCO4)N1
InChIInChI=1S/C12H10N2O4/c15-10-12(14-11(16)13-10)2-1-6-3-8-9(4-7(6)12)18-5-17-8/h3-4H,1-2,5H2,(H2,13,14,15,16)
InChIKeyVRWLKAXHAFPEHR-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.40
Rot. Bonds

About spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione

spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione (PubChem CID 15572730) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Namespiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione
PubChem CID15572730
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Namespiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc4c(cc32)OCO4)N1
InChIInChI=1S/C12H10N2O4/c15-10-12(14-11(16)13-10)2-1-6-3-8-9(4-7(6)12)18-5-17-8/h3-4H,1-2,5H2,(H2,13,14,15,16)
InChIKeyVRWLKAXHAFPEHR-UHFFFAOYSA-N
XLogP0.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione (CID 15572730) is spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCc3cc4c(cc32)OCO4)N1.
What is the InChIKey of spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is VRWLKAXHAFPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-10-12(14-11(16)13-10)2-1-6-3-8-9(4-7(6)12)18-5-17-8/h3-4H,1-2,5H2,(H2,13,14,15,16).
What are the key properties of spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione?
spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 246.22 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydrocyclopenta[f][1,3]benzodioxole-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).