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

C19H17N3O6 — CID 10643673

IUPAC2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCOc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC
InChIInChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
InChIKeyPVMRMOAKXPWFPL-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.43
Rot. Bonds4

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

2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10643673) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10643673
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESCOc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC
InChIInChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
InChIKeyPVMRMOAKXPWFPL-UHFFFAOYSA-N
XLogP0.43
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10643673) is 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC.
What is the InChIKey of 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is PVMRMOAKXPWFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25).
What are the key properties of 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 383.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(3,4-dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10643673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).