3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen

C15H24N2O7 — CID 145117606

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen (PubChem CID 145117606) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen
• PubChem CID: 145117606
• Molecular Formula: C15H24N2O7
• Molecular Weight: 344.36 g/mol
• Exact Mass: 344.16
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen
• SMILES: CC(=O)CCOOCCOCCNC(=O)CCN1C(=O)C=CC1=O.[H][H]
• InChI: InChI=1S/C15H22N2O7.H2/c1-12(18)5-8-23-24-11-10-22-9-6-16-13(19)4-7-17-14(20)2-3-15(17)21;/h2-3H,4-11H2,1H3,(H,16,19);1H
• InChIKey: VDZCFHSSQRFZEF-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 111.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.36
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen (CID 145117606) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen is CC(=O)CCOOCCOCCNC(=O)CCN1C(=O)C=CC1=O.[H][H].

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen?

The InChIKey is VDZCFHSSQRFZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7.H2/c1-12(18)5-8-23-24-11-10-22-9-6-16-13(19)4-7-17-14(20)2-3-15(17)21;/h2-3H,4-11H2,1H3,(H,16,19);1H.

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen has a molecular weight of 344.36 g/mol, XLogP of -0.39, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen is sourced from PubChem (CID 145117606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).