1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone

C9H15NO3 — CID 102652548

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-4-10-7-8(11)9-3-2-5-13-9/h3,10H,2,4-7H2,1H3
InChIKeySEVFRBJWHVCXMD-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.10
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone

1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 102652548) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID102652548
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-4-10-7-8(11)9-3-2-5-13-9/h3,10H,2,4-7H2,1H3
InChIKeySEVFRBJWHVCXMD-UHFFFAOYSA-N
XLogP0.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102652538
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
1-(4,5-Dihydrofuran-2-yl)-2-(methylamino)ethan-1-one
CID 84020687
2-Methyl-3-pyrrolidin-3-yloxypyran-4-one
CID 84666009
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone
CID 102648424
1-(2,3-Dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone
CID 102652417
2-(Cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102652418
2-(Butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102652422
2-(Cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102652427
1-(4,5-Dihydrofuran-2-yl)-2-(ethylamino)ethan-1-one
CID 102652446

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone (CID 102652548) is 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is SEVFRBJWHVCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-6-4-10-7-8(11)9-3-2-5-13-9/h3,10H,2,4-7H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 185.22 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 102652548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).