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

C17H11Cl2N3O4 — CID 10500692

IUPAC2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccn12
InChIInChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
InChIKeyRAAQRCNECYMLHM-UHFFFAOYSA-N
MW392.20 g/mol
LogP1.72
Rot. Bonds2

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

2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (PubChem CID 10500692) has the molecular formula C17H11Cl2N3O4 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.

Molecular Properties

Compound Name2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
PubChem CID10500692
Molecular FormulaC17H11Cl2N3O4
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC Name2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccn12
InChIInChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
InChIKeyRAAQRCNECYMLHM-UHFFFAOYSA-N
XLogP1.72
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 51.72
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

N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
2'-Benzylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10615876
[2-(3,4-Dichloro-benzyl)-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl]-acetic acid
CID 10642706
2'-[(4-Bromo-2-fluorophenyl)methyl]-7'-chlorospiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10718548
2'-[(2-Chlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10784586
2'-[(4-Chloro-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10809495
2-[3-(3-chlorophenyl)-1-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467632
2-[3-(3-chlorophenyl)-7-[3-(dimethylamino)pyrrolidin-1-yl]-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467846
2-[(4S)-7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide
CID 71547606
N-(5-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4413149
3-[2-(3,4-Dichloro-benzyl)-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl]-propionic acid
CID 10500030
2'-(2-Phenylethyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10544901

Frequently Asked Questions

What is the IUPAC name of 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The IUPAC name of 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone (CID 10500692) is 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone.
What is the SMILES notation for 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The canonical SMILES for 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccn12.
What is the InChIKey of 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
The InChIKey is RAAQRCNECYMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25).
What are the key properties of 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone?
2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone has a molecular weight of 392.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(3,4-dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone is sourced from PubChem (CID 10500692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).