3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione

C₁₂H₁₆N₂O₄ — CID 113224932

About 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione

3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione (PubChem CID 113224932) has the molecular formula C₁₂H₁₆N₂O₄ and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
• PubChem CID: 113224932
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.27 g/mol
• Exact Mass: 252.11
• IUPAC Name: 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
• SMILES: CC1=CC(=O)N(CCC(=O)N2CCOCC2)C1=O
• InChI: InChI=1S/C12H16N2O4/c1-9-8-11(16)14(12(9)17)3-2-10(15)13-4-6-18-7-5-13/h8H,2-7H2,1H3
• InChIKey: MYZGBCVWCBTDHF-UHFFFAOYSA-N
• XLogP: -0.45
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.27
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?

The IUPAC name of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione (CID 113224932) is 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione.

What is the SMILES notation for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?

The canonical SMILES for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCC(=O)N2CCOCC2)C1=O.

What is the InChIKey of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?

The InChIKey is MYZGBCVWCBTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9-8-11(16)14(12(9)17)3-2-10(15)13-4-6-18-7-5-13/h8H,2-7H2,1H3.

What are the key properties of 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione?

3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 113224932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113224932 — identifiers, structure, computed properties (public domain)

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