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

C10H7N3O4 — CID 10775974

IUPACspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)NC(=O)c1cccn12
InChIInChI=1S/C10H7N3O4/c14-6-4-10(8(16)11-6)9(17)12-7(15)5-2-1-3-13(5)10/h1-3H,4H2,(H,11,14,16)(H,12,15,17)
InChIKeyNINHKRHIVCXCNS-UHFFFAOYSA-N
MW233.18 g/mol
LogP-1.50
Rot. Bonds

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

spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10775974) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Namespiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10775974
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Namespiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)NC(=O)c1cccn12
InChIInChI=1S/C10H7N3O4/c14-6-4-10(8(16)11-6)9(17)12-7(15)5-2-1-3-13(5)10/h1-3H,4H2,(H,11,14,16)(H,12,15,17)
InChIKeyNINHKRHIVCXCNS-UHFFFAOYSA-N
XLogP-1.50
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
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 spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10775974) is spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is O=C1CC2(C(=O)N1)C(=O)NC(=O)c1cccn12.
What is the InChIKey of spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is NINHKRHIVCXCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-6-4-10(8(16)11-6)9(17)12-7(15)5-2-1-3-13(5)10/h1-3H,4H2,(H,11,14,16)(H,12,15,17).
What are the key properties of spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 233.18 g/mol, XLogP of -1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10775974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).