8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C₁₁H₁₉NO₃ — CID 15102596

About 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 15102596) has the molecular formula C₁₁H₁₉NO₃ and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

• Compound Name: 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
• PubChem CID: 15102596
• Molecular Formula: C₁₁H₁₉NO₃
• Molecular Weight: 213.28 g/mol
• Exact Mass: 213.14
• IUPAC Name: 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
• SMILES: CCOC(C)OC12CCCN1C(=O)CC2
• InChI: InChI=1S/C11H19NO3/c1-3-14-9(2)15-11-6-4-8-12(11)10(13)5-7-11/h9H,3-8H2,1-2H3
• InChIKey: WOPZDEKOVJWRRT-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.28
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The IUPAC name of 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 15102596) is 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

What is the SMILES notation for 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The canonical SMILES for 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CCOC(C)OC12CCCN1C(=O)CC2.

What is the InChIKey of 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The InChIKey is WOPZDEKOVJWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-14-9(2)15-11-6-4-8-12(11)10(13)5-7-11/h9H,3-8H2,1-2H3.

What are the key properties of 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 15102596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15102596 — identifiers, structure, computed properties (public domain)

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