1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone

C9H11NO2S — CID 54304812

IUPAC1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone
SMILESCON=CCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-7(11)9-4-3-8(13-9)5-6-10-12-2/h3-4,6H,5H2,1-2H3
InChIKeySGTGXUQXNAZNTK-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.13
Rot. Bonds4

About 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone

1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone (PubChem CID 54304812) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone
PubChem CID54304812
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone
SMILESCON=CCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-7(11)9-4-3-8(13-9)5-6-10-12-2/h3-4,6H,5H2,1-2H3
InChIKeySGTGXUQXNAZNTK-UHFFFAOYSA-N
XLogP2.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(2-methoxyiminoethyl)thiophen-2-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-Thiopheneglyoxal, aldoxime
CID 9602621
4-(5-Acetylthiophen-2-yl)butan-2-one
CID 12403318
1-Diazonio-5-oxo-5-(thiophen-2-yl)pent-1-en-2-olate
CID 71361109
2-Acetyl-5-acetonylthiophene
CID 129787984
1,1'-(2,5-Thiophenediyl)bis[2-diazoethanone]
CID 101855207
(E)-1-(5-(1-(methoxyimino)ethyl)thiophen-2-yl)ethan-1-one
CID 11138060
1-[5-(3-Azidopropyl)thiophen-2-yl]ethan-1-one
CID 19809177
Butan-1-imine;1-thiophen-2-ylethanone
CID 20345882
1-(5-Methylthiophen-2-yl)propane-1,2-dione
CID 20560361
methyl N-ethyl-3-(5-methylthiophen-2-yl)-3-oxopropanimidothioate
CID 53637128
1-[5-(2-Ethoxyiminoethyl)thiophen-2-yl]ethanone
CID 53666429
1-[5-(2-Butoxyiminoethyl)thiophen-2-yl]ethanone
CID 53804453

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone (CID 54304812) is 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone is CON=CCc1ccc(C(C)=O)s1.
What is the InChIKey of 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone?
The InChIKey is SGTGXUQXNAZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7(11)9-4-3-8(13-9)5-6-10-12-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone?
1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone has a molecular weight of 197.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyiminoethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 54304812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).