1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide

C17H29IN4O3 — CID 111538635

About 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111538635) has the molecular formula C17H29IN4O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
• PubChem CID: 111538635
• Molecular Formula: C17H29IN4O3
• Molecular Weight: 464.35 g/mol
• Exact Mass: 464.13
• IUPAC Name: 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
• SMILES: COCCN/C(=N\CCCN1CCCC1=O)NCCc1ccco1.I
• InChI: InChI=1S/C17H28N4O3.HI/c1-23-14-10-20-17(19-9-7-15-5-3-13-24-15)18-8-4-12-21-11-2-6-16(21)22;/h3,5,13H,2,4,6-12,14H2,1H3,(H2,18,19,20);1H
• InChIKey: DDDSPMPKPJQPJI-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.35
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide?

The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide (CID 111538635) is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide is COCCN/C(=N\CCCN1CCCC1=O)NCCc1ccco1.I.

What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide?

The InChIKey is DDDSPMPKPJQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.HI/c1-23-14-10-20-17(19-9-7-15-5-3-13-24-15)18-8-4-12-21-11-2-6-16(21)22;/h3,5,13H,2,4,6-12,14H2,1H3,(H2,18,19,20);1H.

What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide?

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 464.35 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111538635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).