(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione

C11H10ClN3O4 — CID 14371716

IUPAC(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
InChIInChI=1S/C11H10ClN3O4/c1-5-3-11(9(16)13-10(17)14-11)7-2-6(12)4-15(18)8(7)19-5/h2,4-5H,3H2,1H3,(H2,13,14,16,17)/t5-,11+/m1/s1
InChIKeyPDGNPUKHQOYMGH-GCXOYZPQSA-N
MW283.67 g/mol
LogP0.18
Rot. Bonds

About (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione

(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione (PubChem CID 14371716) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione
PubChem CID14371716
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
InChIInChI=1S/C11H10ClN3O4/c1-5-3-11(9(16)13-10(17)14-11)7-2-6(12)4-15(18)8(7)19-5/h2,4-5H,3H2,1H3,(H2,13,14,16,17)/t5-,11+/m1/s1
InChIKeyPDGNPUKHQOYMGH-GCXOYZPQSA-N
XLogP0.18
TPSA94.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione (CID 14371716) is (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione is C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1.
What is the InChIKey of (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is PDGNPUKHQOYMGH-GCXOYZPQSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c1-5-3-11(9(16)13-10(17)14-11)7-2-6(12)4-15(18)8(7)19-5/h2,4-5H,3H2,1H3,(H2,13,14,16,17)/t5-,11+/m1/s1.
What are the key properties of (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione?
(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 283.67 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 14371716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).