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

C11H19NO2 — CID 102651026

IUPAC3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1=CCCO1
InChIInChI=1S/C11H19NO2/c1-3-12(4-2)8-7-10(13)11-6-5-9-14-11/h6H,3-5,7-9H2,1-2H3
InChIKeyPAWKJASTPCTNOZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds6

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

3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one (PubChem CID 102651026) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
PubChem CID102651026
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1=CCCO1
InChIInChI=1S/C11H19NO2/c1-3-12(4-2)8-7-10(13)11-6-5-9-14-11/h6H,3-5,7-9H2,1-2H3
InChIKeyPAWKJASTPCTNOZ-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
CID 102646951
3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
CID 102646960
3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
CID 102646961
1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
CID 102647000
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
2,3-Dihydrofuran-5-yl-(4-methylmorpholin-2-yl)methanone
CID 102651027
2,3-Dihydrofuran-5-yl-(4-ethylmorpholin-2-yl)methanone
CID 102651037
2,3-Dihydrofuran-5-yl-(4-propylmorpholin-2-yl)methanone
CID 102651038
2,3-Dihydrofuran-5-yl-(4-propan-2-ylmorpholin-2-yl)methanone
CID 102651039
1-(2,3-Dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
CID 102651077
1-(2,3-Dihydrofuran-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 102652423

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one (CID 102651026) is 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one is CCN(CC)CCC(=O)C1=CCCO1.
What is the InChIKey of 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The InChIKey is PAWKJASTPCTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-12(4-2)8-7-10(13)11-6-5-9-14-11/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one is sourced from PubChem (CID 102651026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).