5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C12H12N2O3 — CID 15572727

IUPAC5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-17-8-3-2-7-4-5-12(9(7)6-8)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyYNYCZKURJIXZRV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.68
Rot. Bonds1

About 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 15572727) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID15572727
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-17-8-3-2-7-4-5-12(9(7)6-8)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyYNYCZKURJIXZRV-UHFFFAOYSA-N
XLogP0.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.68
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-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 15572727) is 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is YNYCZKURJIXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-8-3-2-7-4-5-12(9(7)6-8)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 232.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).