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

C12H11FN4O4 — CID 14211296

IUPAC8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESNC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc(N)c2O1
InChIInChI=1S/C12H11FN4O4/c13-4-1-5-8(6(14)2-4)21-7(9(15)18)3-12(5)10(19)16-11(20)17-12/h1-2,7H,3,14H2,(H2,15,18)(H2,16,17,19,20)
InChIKeyQNPIHDYSMCYSDP-UHFFFAOYSA-N
MW294.24 g/mol
LogP-0.92
Rot. Bonds1

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

8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (PubChem CID 14211296) has the molecular formula C12H11FN4O4 and a molecular weight of 294.24 g/mol. Its IUPAC name is 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.

Molecular Properties

Compound Name8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
PubChem CID14211296
Molecular FormulaC12H11FN4O4
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESNC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc(N)c2O1
InChIInChI=1S/C12H11FN4O4/c13-4-1-5-8(6(14)2-4)21-7(9(15)18)3-12(5)10(19)16-11(20)17-12/h1-2,7H,3,14H2,(H2,15,18)(H2,16,17,19,20)
InChIKeyQNPIHDYSMCYSDP-UHFFFAOYSA-N
XLogP-0.92
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The IUPAC name of 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (CID 14211296) is 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.
What is the SMILES notation for 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The canonical SMILES for 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is NC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)cc(N)c2O1.
What is the InChIKey of 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The InChIKey is QNPIHDYSMCYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4/c13-4-1-5-8(6(14)2-4)21-7(9(15)18)3-12(5)10(19)16-11(20)17-12/h1-2,7H,3,14H2,(H2,15,18)(H2,16,17,19,20).
What are the key properties of 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide has a molecular weight of 294.24 g/mol, XLogP of -0.92, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is sourced from PubChem (CID 14211296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).