2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

C20H24BrN3O3 — CID 156610636

About 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 156610636) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

• Compound Name: 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
• PubChem CID: 156610636
• Molecular Formula: C20H24BrN3O3
• Molecular Weight: 434.33 g/mol
• Exact Mass: 433.10
• IUPAC Name: 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
• SMILES: O=C1CCCN1CCCN1C(=O)C2CN(Cc3ccc(Br)cc3)CC2C1=O
• InChI: InChI=1S/C20H24BrN3O3/c21-15-6-4-14(5-7-15)11-22-12-16-17(13-22)20(27)24(19(16)26)10-2-9-23-8-1-3-18(23)25/h4-7,16-17H,1-3,8-13H2
• InChIKey: DNBRMCDHCNHXLG-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 60.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.33
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?

The IUPAC name of 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 156610636) is 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?

The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is O=C1CCCN1CCCN1C(=O)C2CN(Cc3ccc(Br)cc3)CC2C1=O.

What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?

The InChIKey is DNBRMCDHCNHXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c21-15-6-4-14(5-7-15)11-22-12-16-17(13-22)20(27)24(19(16)26)10-2-9-23-8-1-3-18(23)25/h4-7,16-17H,1-3,8-13H2.

What are the key properties of 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?

2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 434.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromophenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 156610636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).