2-(diethylamino)-1-(furan-2-yl)butan-1-one

C12H19NO2 — CID 174550542

IUPAC2-(diethylamino)-1-(furan-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccco1)N(CC)CC
InChIInChI=1S/C12H19NO2/c1-4-10(13(5-2)6-3)12(14)11-8-7-9-15-11/h7-10H,4-6H2,1-3H3
InChIKeyHLCBJLXVHWDDHS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.58
Rot. Bonds6

About 2-(diethylamino)-1-(furan-2-yl)butan-1-one

2-(diethylamino)-1-(furan-2-yl)butan-1-one (PubChem CID 174550542) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(diethylamino)-1-(furan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(furan-2-yl)butan-1-one
PubChem CID174550542
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(diethylamino)-1-(furan-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccco1)N(CC)CC
InChIInChI=1S/C12H19NO2/c1-4-10(13(5-2)6-3)12(14)11-8-7-9-15-11/h7-10H,4-6H2,1-3H3
InChIKeyHLCBJLXVHWDDHS-UHFFFAOYSA-N
XLogP2.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(furan-2-yl)butan-1-one?
The IUPAC name of 2-(diethylamino)-1-(furan-2-yl)butan-1-one (CID 174550542) is 2-(diethylamino)-1-(furan-2-yl)butan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(furan-2-yl)butan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(furan-2-yl)butan-1-one is CCC(C(=O)c1ccco1)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-1-(furan-2-yl)butan-1-one?
The InChIKey is HLCBJLXVHWDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10(13(5-2)6-3)12(14)11-8-7-9-15-11/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(furan-2-yl)butan-1-one?
2-(diethylamino)-1-(furan-2-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(furan-2-yl)butan-1-one is sourced from PubChem (CID 174550542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).