2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one

C₁₃H₂₃NO₂ — CID 102651011

About 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one

2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one (PubChem CID 102651011) has the molecular formula C₁₃H₂₃NO₂ and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one.

Molecular Properties

• Compound Name: 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one
• PubChem CID: 102651011
• Molecular Formula: C₁₃H₂₃NO₂
• Molecular Weight: 225.33 g/mol
• Exact Mass: 225.17
• IUPAC Name: 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one
• SMILES: CCN(CC)C(C)(CC)C(=O)C1=CCCO1
• InChI: InChI=1S/C13H23NO2/c1-5-13(4,14(6-2)7-3)12(15)11-9-8-10-16-11/h9H,5-8,10H2,1-4H3
• InChIKey: BUOVRGBLIPRHTK-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.33
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one?

The IUPAC name of 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one (CID 102651011) is 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one.

What is the SMILES notation for 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one?

The canonical SMILES for 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)C1=CCCO1.

What is the InChIKey of 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one?

The InChIKey is BUOVRGBLIPRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(4,14(6-2)7-3)12(15)11-9-8-10-16-11/h9H,5-8,10H2,1-4H3.

What are the key properties of 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one?

2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)-1-(2,3-dihydrofuran-5-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102651011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102651011 — identifiers, structure, computed properties (public domain)

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