2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C15H22N2O2 — CID 79944791

About 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944791) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• PubChem CID: 79944791
• Molecular Formula: C15H22N2O2
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.17
• IUPAC Name: 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES: C#CC(C)(C)N1C(=O)C2CCCN2C(=O)C1C(C)C
• InChI: InChI=1S/C15H22N2O2/c1-6-15(4,5)17-12(10(2)3)14(19)16-9-7-8-11(16)13(17)18/h1,10-12H,7-9H2,2-5H3
• InChIKey: VDXCUGUCPGVALE-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944791) is 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is C#CC(C)(C)N1C(=O)C2CCCN2C(=O)C1C(C)C.

What is the InChIKey of 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The InChIKey is VDXCUGUCPGVALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-15(4,5)17-12(10(2)3)14(19)16-9-7-8-11(16)13(17)18/h1,10-12H,7-9H2,2-5H3.

What are the key properties of 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 262.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).