Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium

C₈H₁₄NO₂+ — CID 54505311

About Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium

Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium (PubChem CID 54505311) has the molecular formula C₈H₁₄NO₂+ and a molecular weight of 156.20 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium.

Molecular Properties

• Compound Name: Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium
• PubChem CID: 54505311
• Molecular Formula: C₈H₁₄NO₂+
• Molecular Weight: 156.20 g/mol
• Exact Mass: 156.10
• IUPAC Name: dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium
• SMILES: C=C(C)C(=O)[N+](C)(C)CC=O
• InChI: InChI=1S/C8H14NO2/c1-7(2)8(11)9(3,4)5-6-10/h6H,1,5H2,2-4H3/q+1
• InChIKey: GUWRBJLXTBQCJV-UHFFFAOYSA-N
• XLogP: 0.36
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	156.20
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?

The IUPAC name of Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium (CID 54505311) is dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium.

What is the SMILES notation for Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?

The canonical SMILES for Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium is C=C(C)C(=O)[N+](C)(C)CC=O.

What is the InChIKey of Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?

The InChIKey is GUWRBJLXTBQCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-7(2)8(11)9(3,4)5-6-10/h6H,1,5H2,2-4H3/q+1.

What are the key properties of Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?

Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium has a molecular weight of 156.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium is sourced from PubChem (CID 54505311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54505311 — identifiers, structure, computed properties (public domain)

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