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

C8H13NO3 — CID 102652546

IUPAC2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESNCCOCC(=O)C1=CCCO1
InChIInChI=1S/C8H13NO3/c9-3-5-11-6-7(10)8-2-1-4-12-8/h2H,1,3-6,9H2
InChIKeyMVGWCVPOOWZNIO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.17
Rot. Bonds5

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

2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone (PubChem CID 102652546) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone
PubChem CID102652546
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESNCCOCC(=O)C1=CCCO1
InChIInChI=1S/C8H13NO3/c9-3-5-11-6-7(10)8-2-1-4-12-8/h2H,1,3-6,9H2
InChIKeyMVGWCVPOOWZNIO-UHFFFAOYSA-N
XLogP-0.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
5-(Aminomethyl)furan-3-one
CID 148940988
(E)-3-(2-aminopropoxy)hex-3-en-2-one
CID 169847945
4-(2-Aminoethoxy)-2,5-dimethylfuran-3-one
CID 174760439
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-Amino-1-(4,5-dihydrofuran-2-yl)ethan-1-one
CID 84020560
3-(3-Aminopropoxy)-2-methylpyran-4-one
CID 84658987
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648422

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone (CID 102652546) is 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone is NCCOCC(=O)C1=CCCO1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone?
The InChIKey is MVGWCVPOOWZNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c9-3-5-11-6-7(10)8-2-1-4-12-8/h2H,1,3-6,9H2.
What are the key properties of 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone?
2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone has a molecular weight of 171.20 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone is sourced from PubChem (CID 102652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).