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

C9H15NO2 — CID 102651077

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-10(2)6-5-8(11)9-4-3-7-12-9/h4H,3,5-7H2,1-2H3
InChIKeySHDARJPWFZOHBT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one (PubChem CID 102651077) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
PubChem CID102651077
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-10(2)6-5-8(11)9-4-3-7-12-9/h4H,3,5-7H2,1-2H3
InChIKeySHDARJPWFZOHBT-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
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
1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
CID 102647000
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026
2,3-Dihydrofuran-5-yl-(4-methylmorpholin-2-yl)methanone
CID 102651027
1-(4,5-Dihydrofuran-2-yl)-3-(methylamino)propan-1-one
CID 102652440
1-(2,3-Dihydrofuran-5-yl)-3-(ethylamino)propan-1-one
CID 102652457
1-(2,3-Dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102652532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one (CID 102651077) is 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is SHDARJPWFZOHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)6-5-8(11)9-4-3-7-12-9/h4H,3,5-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 4 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)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 102651077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).