4-(diethylamino)-5-ethyl-5-methylfuran-2-one

C11H19NO2 — CID 134855888

IUPAC4-(diethylamino)-5-ethyl-5-methylfuran-2-one
SMILESCCN(CC)C1=CC(=O)OC1(C)CC
InChIInChI=1S/C11H19NO2/c1-5-11(4)9(8-10(13)14-11)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyVAYMAYBWPMKWMM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds4

About 4-(diethylamino)-5-ethyl-5-methylfuran-2-one

4-(diethylamino)-5-ethyl-5-methylfuran-2-one (PubChem CID 134855888) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(diethylamino)-5-ethyl-5-methylfuran-2-one.

Molecular Properties

Compound Name4-(diethylamino)-5-ethyl-5-methylfuran-2-one
PubChem CID134855888
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(diethylamino)-5-ethyl-5-methylfuran-2-one
SMILESCCN(CC)C1=CC(=O)OC1(C)CC
InChIInChI=1S/C11H19NO2/c1-5-11(4)9(8-10(13)14-11)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyVAYMAYBWPMKWMM-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-5-ethyl-5-methylfuran-2-one?
The IUPAC name of 4-(diethylamino)-5-ethyl-5-methylfuran-2-one (CID 134855888) is 4-(diethylamino)-5-ethyl-5-methylfuran-2-one.
What is the SMILES notation for 4-(diethylamino)-5-ethyl-5-methylfuran-2-one?
The canonical SMILES for 4-(diethylamino)-5-ethyl-5-methylfuran-2-one is CCN(CC)C1=CC(=O)OC1(C)CC.
What is the InChIKey of 4-(diethylamino)-5-ethyl-5-methylfuran-2-one?
The InChIKey is VAYMAYBWPMKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-11(4)9(8-10(13)14-11)12(6-2)7-3/h8H,5-7H2,1-4H3.
What are the key properties of 4-(diethylamino)-5-ethyl-5-methylfuran-2-one?
4-(diethylamino)-5-ethyl-5-methylfuran-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-5-ethyl-5-methylfuran-2-one is sourced from PubChem (CID 134855888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).