6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C13H14N2O4 — CID 13036737

IUPAC6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC(C)O2)NC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-7-6-13(11(16)14-12(17)15-13)9-5-8(18-2)3-4-10(9)19-7/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyAQKYCTDXUNAVDI-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.90
Rot. Bonds1

About 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 13036737) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID13036737
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC(C)O2)NC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-7-6-13(11(16)14-12(17)15-13)9-5-8(18-2)3-4-10(9)19-7/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyAQKYCTDXUNAVDI-UHFFFAOYSA-N
XLogP0.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.90
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 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 13036737) is 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC(C)O2)NC(=O)NC1=O.
What is the InChIKey of 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is AQKYCTDXUNAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-6-13(11(16)14-12(17)15-13)9-5-8(18-2)3-4-10(9)19-7/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 262.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 13036737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).