2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate

C14H21NO4 — CID 19797743

About 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 19797743) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 19797743
• Molecular Formula: C14H21NO4
• Molecular Weight: 267.32 g/mol
• Exact Mass: 267.15
• IUPAC Name: 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOCCn1cccc1
• InChI: InChI=1S/C14H21NO4/c1-13(2)14(16)19-12-11-18-10-9-17-8-7-15-5-3-4-6-15/h3-6H,1,7-12H2,2H3
• InChIKey: JDZPPVZUBKLSNZ-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 49.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.32
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 19797743) is 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCn1cccc1.

What is the InChIKey of 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is JDZPPVZUBKLSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-13(2)14(16)19-12-11-18-10-9-17-8-7-15-5-3-4-6-15/h3-6H,1,7-12H2,2H3.

What are the key properties of 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 267.32 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19797743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).