7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C17H14N2O3 — CID 11779204

IUPAC7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3cc(-c4ccccc4)ccc32)N1
InChIInChI=1S/C17H14N2O3/c20-15-17(19-16(21)18-15)8-9-22-14-10-12(6-7-13(14)17)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20,21)
InChIKeyWBNLRNCQJFDEJP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.17
Rot. Bonds1

About 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 11779204) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID11779204
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3cc(-c4ccccc4)ccc32)N1
InChIInChI=1S/C17H14N2O3/c20-15-17(19-16(21)18-15)8-9-22-14-10-12(6-7-13(14)17)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20,21)
InChIKeyWBNLRNCQJFDEJP-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.17
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 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 11779204) is 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCOc3cc(-c4ccccc4)ccc32)N1.
What is the InChIKey of 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is WBNLRNCQJFDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-17(19-16(21)18-15)8-9-22-14-10-12(6-7-13(14)17)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20,21).
What are the key properties of 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 294.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11779204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).