N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione

C24H32N4O8 — CID 158669312

About N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione

N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione (PubChem CID 158669312) has the molecular formula C24H32N4O8 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione
• PubChem CID: 158669312
• Molecular Formula: C24H32N4O8
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.22
• IUPAC Name: N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione
• SMILES: CC(=O)CCN1C(=O)C=CC1=O.CCCCNC(=O)CCN1C(=O)C=CC1=O.CN1C(=O)CCC1=O
• InChI: InChI=1S/C11H16N2O3.C8H9NO3.C5H7NO2/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6(10)4-5-9-7(11)2-3-8(9)12;1-6-4(7)2-3-5(6)8/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H,4-5H2,1H3;2-3H2,1H3
• InChIKey: IDTFGPKLUIBHNC-UHFFFAOYSA-N
• XLogP: -0.13
• TPSA: 158.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione?

The IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione (CID 158669312) is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione.

What is the SMILES notation for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione?

The canonical SMILES for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione is CC(=O)CCN1C(=O)C=CC1=O.CCCCNC(=O)CCN1C(=O)C=CC1=O.CN1C(=O)CCC1=O.

What is the InChIKey of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione?

The InChIKey is IDTFGPKLUIBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C8H9NO3.C5H7NO2/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6(10)4-5-9-7(11)2-3-8(9)12;1-6-4(7)2-3-5(6)8/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H,4-5H2,1H3;2-3H2,1H3.

What are the key properties of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione?

N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione has a molecular weight of 504.54 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione;1-(3-oxobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 158669312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).