2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C14H22N2O2 — CID 53016714

About 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 53016714) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
• PubChem CID: 53016714
• Molecular Formula: C14H22N2O2
• Molecular Weight: 250.34 g/mol
• Exact Mass: 250.17
• IUPAC Name: 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
• SMILES: COCC(=O)N1CCn2c(C)ccc2C1C(C)C
• InChI: InChI=1S/C14H22N2O2/c1-10(2)14-12-6-5-11(3)15(12)7-8-16(14)13(17)9-18-4/h5-6,10,14H,7-9H2,1-4H3
• InChIKey: ODMNMMZOGHEJRV-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 34.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.34
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?

The IUPAC name of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 53016714) is 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

What is the SMILES notation for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?

The canonical SMILES for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is COCC(=O)N1CCn2c(C)ccc2C1C(C)C.

What is the InChIKey of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?

The InChIKey is ODMNMMZOGHEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)14-12-6-5-11(3)15(12)7-8-16(14)13(17)9-18-4/h5-6,10,14H,7-9H2,1-4H3.

What are the key properties of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?

2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 53016714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).