1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one

C12H21NO2 — CID 102651015

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCO1)N(C)C
InChIInChI=1S/C12H21NO2/c1-5-12(6-2,13(3)4)11(14)10-8-7-9-15-10/h8H,5-7,9H2,1-4H3
InChIKeyJFFRQPAHYAWEEX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one

1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one (PubChem CID 102651015) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one
PubChem CID102651015
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCO1)N(C)C
InChIInChI=1S/C12H21NO2/c1-5-12(6-2,13(3)4)11(14)10-8-7-9-15-10/h8H,5-7,9H2,1-4H3
InChIKeyJFFRQPAHYAWEEX-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one (CID 102651015) is 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one is CCC(CC)(C(=O)C1=CCCO1)N(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The InChIKey is JFFRQPAHYAWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-12(6-2,13(3)4)11(14)10-8-7-9-15-10/h8H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 102651015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).