3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C16H21N3O2 — CID 79923670

About 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79923670) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• PubChem CID: 79923670
• Molecular Formula: C16H21N3O2
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.16
• IUPAC Name: 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES: CCC1C(=O)N2CCCC2C(=O)N1CCc1ccccn1
• InChI: InChI=1S/C16H21N3O2/c1-2-13-15(20)18-10-5-7-14(18)16(21)19(13)11-8-12-6-3-4-9-17-12/h3-4,6,9,13-14H,2,5,7-8,10-11H2,1H3
• InChIKey: PCYRPXZHNWRGCI-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79923670) is 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCC2C(=O)N1CCc1ccccn1.

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

The InChIKey is PCYRPXZHNWRGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-15(20)18-10-5-7-14(18)16(21)19(13)11-8-12-6-3-4-9-17-12/h3-4,6,9,13-14H,2,5,7-8,10-11H2,1H3.

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

3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79923670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).