1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione

C₉H₁₁NO₂ — CID 115586418

About 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione

1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione (PubChem CID 115586418) has the molecular formula C₉H₁₁NO₂ and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
• PubChem CID: 115586418
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19 g/mol
• Exact Mass: 165.08
• IUPAC Name: 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
• SMILES: CC1CC1CN1C(=O)C=CC1=O
• InChI: InChI=1S/C9H11NO2/c1-6-4-7(6)5-10-8(11)2-3-9(10)12/h2-3,6-7H,4-5H2,1H3
• InChIKey: ZJURKNJEKSFNFS-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.19
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?

The IUPAC name of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione (CID 115586418) is 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione.

What is the SMILES notation for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?

The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione is CC1CC1CN1C(=O)C=CC1=O.

What is the InChIKey of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?

The InChIKey is ZJURKNJEKSFNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-7(6)5-10-8(11)2-3-9(10)12/h2-3,6-7H,4-5H2,1H3.

What are the key properties of 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione?

1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 115586418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115586418 — identifiers, structure, computed properties (public domain)

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