Apronal

C₉H₁₆N₂O₂ — CID 10715

About Apronal

Apronal (PubChem CID 10715) has the molecular formula C₉H₁₆N₂O₂ and a molecular weight of 184.24 g/mol. Its IUPAC name is N-carbamoyl-2-propan-2-ylpent-4-enamide.

Molecular Properties

• Compound Name: Apronal
• PubChem CID: 10715
• Molecular Formula: C₉H₁₆N₂O₂
• Molecular Weight: 184.24 g/mol
• Exact Mass: 184.12
• IUPAC Name: N-carbamoyl-2-propan-2-ylpent-4-enamide
• SMILES: C=CCC(C(=O)NC(N)=O)C(C)C
• InChI: InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
• InChIKey: KSUUMAWCGDNLFK-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.24
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Apronal?

The IUPAC name of Apronal (CID 10715) is N-carbamoyl-2-propan-2-ylpent-4-enamide.

What is the SMILES notation for Apronal?

The canonical SMILES for Apronal is C=CCC(C(=O)NC(N)=O)C(C)C.

What is the InChIKey of Apronal?

The InChIKey is KSUUMAWCGDNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13).

What are the key properties of Apronal?

Apronal has a molecular weight of 184.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Apronal is sourced from PubChem (CID 10715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10715 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3678 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.