(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide

C12H11FN4O4 — CID 67845497

IUPAC(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C12H11FN4O4/c13-5-1-2-7-6(3-5)12(10(19)15-11(20)16-12)4-8(21-7)9(18)17-14/h1-3,8H,4,14H2,(H,17,18)(H2,15,16,19,20)/t8-,12+/m0/s1
InChIKeyVRYSSOHVHYMNKL-QPUJVOFHSA-N
MW294.24 g/mol
LogP-1.00
Rot. Bonds1

About (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide

(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide (PubChem CID 67845497) has the molecular formula C12H11FN4O4 and a molecular weight of 294.24 g/mol. Its IUPAC name is (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide.

Molecular Properties

Compound Name(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
PubChem CID67845497
Molecular FormulaC12H11FN4O4
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C12H11FN4O4/c13-5-1-2-7-6(3-5)12(10(19)15-11(20)16-12)4-8(21-7)9(18)17-14/h1-3,8H,4,14H2,(H,17,18)(H2,15,16,19,20)/t8-,12+/m0/s1
InChIKeyVRYSSOHVHYMNKL-QPUJVOFHSA-N
XLogP-1.00
TPSA122.55 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 ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide?
The IUPAC name of (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide (CID 67845497) is (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide.
What is the SMILES notation for (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide?
The canonical SMILES for (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide is NNC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1.
What is the InChIKey of (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide?
The InChIKey is VRYSSOHVHYMNKL-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H11FN4O4/c13-5-1-2-7-6(3-5)12(10(19)15-11(20)16-12)4-8(21-7)9(18)17-14/h1-3,8H,4,14H2,(H,17,18)(H2,15,16,19,20)/t8-,12+/m0/s1.
What are the key properties of (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide?
(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide has a molecular weight of 294.24 g/mol, XLogP of -1.00, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide is sourced from PubChem (CID 67845497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).