6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C12H12N2O3 — CID 91607903

IUPAC6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(O)ccc2c1CCC21NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-6-7-4-5-12(8(7)2-3-9(6)15)10(16)13-11(17)14-12/h2-3,15H,4-5H2,1H3,(H2,13,14,16,17)
InChIKeyHJMJVIWNBJHUFT-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.68
Rot. Bonds

About 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 91607903) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID91607903
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(O)ccc2c1CCC21NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-6-7-4-5-12(8(7)2-3-9(6)15)10(16)13-11(17)14-12/h2-3,15H,4-5H2,1H3,(H2,13,14,16,17)
InChIKeyHJMJVIWNBJHUFT-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
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 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 91607903) is 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cc1c(O)ccc2c1CCC21NC(=O)NC1=O.
What is the InChIKey of 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is HJMJVIWNBJHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-7-4-5-12(8(7)2-3-9(6)15)10(16)13-11(17)14-12/h2-3,15H,4-5H2,1H3,(H2,13,14,16,17).
What are the key properties of 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 232.24 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 91607903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).