6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

C14H16N2O4 — CID 12895311

IUPAC6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC(C)(C)O2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-13(2)7-14(11(17)15-12(18)16-14)9-6-8(19-3)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWGVOQYCMTWNDPY-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.29
Rot. Bonds1

About 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 12895311) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID12895311
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC(C)(C)O2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-13(2)7-14(11(17)15-12(18)16-14)9-6-8(19-3)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWGVOQYCMTWNDPY-UHFFFAOYSA-N
XLogP1.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.29
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-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (CID 12895311) is 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC(C)(C)O2)NC(=O)NC1=O.
What is the InChIKey of 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is WGVOQYCMTWNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-13(2)7-14(11(17)15-12(18)16-14)9-6-8(19-3)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 276.29 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 12895311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).