2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone

C11H9N3O4 — CID 10824371

IUPAC2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
InChIInChI=1S/C11H9N3O4/c1-13-8(16)6-3-2-4-14(6)11(10(13)18)5-7(15)12-9(11)17/h2-4H,5H2,1H3,(H,12,15,17)
InChIKeyHRIFDUQBARDWCY-UHFFFAOYSA-N
MW247.21 g/mol
LogP-1.16
Rot. Bonds

About 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone

2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10824371) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10824371
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
InChIInChI=1S/C11H9N3O4/c1-13-8(16)6-3-2-4-14(6)11(10(13)18)5-7(15)12-9(11)17/h2-4H,5H2,1H3,(H,12,15,17)
InChIKeyHRIFDUQBARDWCY-UHFFFAOYSA-N
XLogP-1.16
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10824371) is 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O.
What is the InChIKey of 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is HRIFDUQBARDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-13-8(16)6-3-2-4-14(6)11(10(13)18)5-7(15)12-9(11)17/h2-4H,5H2,1H3,(H,12,15,17).
What are the key properties of 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 247.21 g/mol, XLogP of -1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10824371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).