Carpronium

C₈H₁₈NO₂+ — CID 2582

About Carpronium

Carpronium (PubChem CID 2582) has the molecular formula C₈H₁₈NO₂+ and a molecular weight of 160.24 g/mol. Its IUPAC name is (4-methoxy-4-oxobutyl)-trimethylazanium.

Molecular Properties

• Compound Name: Carpronium
• PubChem CID: 2582
• Molecular Formula: C₈H₁₈NO₂+
• Molecular Weight: 160.24 g/mol
• Exact Mass: 160.13
• IUPAC Name: (4-methoxy-4-oxobutyl)-trimethylazanium
• SMILES: COC(=O)CCC[N+](C)(C)C
• InChI: InChI=1S/C8H18NO2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3/q+1
• InChIKey: XQSLKIBWQSTAGK-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.24
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carpronium?

The IUPAC name of Carpronium (CID 2582) is (4-methoxy-4-oxobutyl)-trimethylazanium.

What is the SMILES notation for Carpronium?

The canonical SMILES for Carpronium is COC(=O)CCC[N+](C)(C)C.

What is the InChIKey of Carpronium?

The InChIKey is XQSLKIBWQSTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3/q+1.

What are the key properties of Carpronium?

Carpronium has a molecular weight of 160.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Carpronium is sourced from PubChem (CID 2582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2582 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 519 — approved-drug record (CC BY-SA 4.0)

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