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

C16H19ClN2O2 — CID 79923429

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

2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79923429) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• PubChem CID: 79923429
• Molecular Formula: C16H19ClN2O2
• Molecular Weight: 306.79 g/mol
• Exact Mass: 306.11
• IUPAC Name: 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES: CC(C)C1C(=O)N2CCCC2C(=O)N1c1ccccc1Cl
• InChI: InChI=1S/C16H19ClN2O2/c1-10(2)14-16(21)18-9-5-8-13(18)15(20)19(14)12-7-4-3-6-11(12)17/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3
• InChIKey: HYSVIADTYBYJNF-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.79
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79923429) is 2-(2-chlorophenyl)-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-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCC2C(=O)N1c1ccccc1Cl.

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

The InChIKey is HYSVIADTYBYJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10(2)14-16(21)18-9-5-8-13(18)15(20)19(14)12-7-4-3-6-11(12)17/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3.

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

2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 306.79 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79923429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).