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

C9H15NO2 — CID 102652457

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h4,10H,2-3,5-7H2,1H3
InChIKeyDIEFQAZLKYVBBL-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds5

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

1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one (PubChem CID 102652457) 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-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one
PubChem CID102652457
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h4,10H,2-3,5-7H2,1H3
InChIKeyDIEFQAZLKYVBBL-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026
1-(2,3-Dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
CID 102651077
3-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 102652402

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one (CID 102652457) is 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one is CCNCCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one?
The InChIKey is DIEFQAZLKYVBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h4,10H,2-3,5-7H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 102652457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).