6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

C12H9FN4O6 — CID 14211295

IUPAC6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESNC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc([N+](=O)[O-])c2O1
InChIInChI=1S/C12H9FN4O6/c13-4-1-5-8(6(2-4)17(21)22)23-7(9(14)18)3-12(5)10(19)15-11(20)16-12/h1-2,7H,3H2,(H2,14,18)(H2,15,16,19,20)
InChIKeyUAPUZZWPHHYIHL-UHFFFAOYSA-N
MW324.22 g/mol
LogP-0.60
Rot. Bonds2

About 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (PubChem CID 14211295) has the molecular formula C12H9FN4O6 and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
PubChem CID14211295
Molecular FormulaC12H9FN4O6
Molecular Weight324.22 g/mol
Exact Mass324.05
IUPAC Name6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESNC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc([N+](=O)[O-])c2O1
InChIInChI=1S/C12H9FN4O6/c13-4-1-5-8(6(2-4)17(21)22)23-7(9(14)18)3-12(5)10(19)15-11(20)16-12/h1-2,7H,3H2,(H2,14,18)(H2,15,16,19,20)
InChIKeyUAPUZZWPHHYIHL-UHFFFAOYSA-N
XLogP-0.60
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The IUPAC name of 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (CID 14211295) is 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.
What is the SMILES notation for 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The canonical SMILES for 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is NC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc([N+](=O)[O-])c2O1.
What is the InChIKey of 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The InChIKey is UAPUZZWPHHYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O6/c13-4-1-5-8(6(2-4)17(21)22)23-7(9(14)18)3-12(5)10(19)15-11(20)16-12/h1-2,7H,3H2,(H2,14,18)(H2,15,16,19,20).
What are the key properties of 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide has a molecular weight of 324.22 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-nitro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is sourced from PubChem (CID 14211295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).