1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone

C10H13NO2S — CID 14099083

IUPAC1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
SMILESCCO/N=C(\C)c1ccc(C(C)=O)s1
InChIInChI=1S/C10H13NO2S/c1-4-13-11-7(2)9-5-6-10(14-9)8(3)12/h5-6H,4H2,1-3H3/b11-7+
InChIKeyBXQMTRWVDANPAC-YRNVUSSQSA-N
MW211.29 g/mol
LogP2.71
Rot. Bonds4

About 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone

1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone (PubChem CID 14099083) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
PubChem CID14099083
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
SMILESCCO/N=C(\C)c1ccc(C(C)=O)s1
InChIInChI=1S/C10H13NO2S/c1-4-13-11-7(2)9-5-6-10(14-9)8(3)12/h5-6H,4H2,1-3H3/b11-7+
InChIKeyBXQMTRWVDANPAC-YRNVUSSQSA-N
XLogP2.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone (CID 14099083) is 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone is CCO/N=C(\C)c1ccc(C(C)=O)s1.
What is the InChIKey of 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The InChIKey is BXQMTRWVDANPAC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-4-13-11-7(2)9-5-6-10(14-9)8(3)12/h5-6H,4H2,1-3H3/b11-7+.
What are the key properties of 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 14099083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).