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

C18H15N3O4 — CID 10544901

IUPAC2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn12
InChIInChI=1S/C18H15N3O4/c22-14-11-18(16(24)19-14)17(25)20(10-8-12-5-2-1-3-6-12)15(23)13-7-4-9-21(13)18/h1-7,9H,8,10-11H2,(H,19,22,24)
InChIKeyAKJJSPZUJSXSRS-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.46
Rot. Bonds3

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

2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10544901) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10544901
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn12
InChIInChI=1S/C18H15N3O4/c22-14-11-18(16(24)19-14)17(25)20(10-8-12-5-2-1-3-6-12)15(23)13-7-4-9-21(13)18/h1-7,9H,8,10-11H2,(H,19,22,24)
InChIKeyAKJJSPZUJSXSRS-UHFFFAOYSA-N
XLogP0.46
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.46
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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Related Compounds

Ranirestat
CID 153948
7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 24849157
3-{7-Fluoro-4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-(2-phenylethyl)propanamide
CID 16017974
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
N-(4-Ethylphenyl)-2-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}acetamide
CID 16018022
6-(2-oxo-2-phenylethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 852520

Frequently Asked Questions

What is the IUPAC name of 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10544901) is 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is O=C1CC2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn12.
What is the InChIKey of 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is AKJJSPZUJSXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-14-11-18(16(24)19-14)17(25)20(10-8-12-5-2-1-3-6-12)15(23)13-7-4-9-21(13)18/h1-7,9H,8,10-11H2,(H,19,22,24).
What are the key properties of 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 337.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10544901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).