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

C9H11NO2S — CID 11138060

IUPAC1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
SMILESCO/N=C(\C)c1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-6(10-12-3)8-4-5-9(13-8)7(2)11/h4-5H,1-3H3/b10-6+
InChIKeySHKPOZGQJGJSRM-UXBLZVDNSA-N
MW197.26 g/mol
LogP2.32
Rot. Bonds3

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

1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone (PubChem CID 11138060) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
PubChem CID11138060
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
SMILESCO/N=C(\C)c1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-6(10-12-3)8-4-5-9(13-8)7(2)11/h4-5H,1-3H3/b10-6+
InChIKeySHKPOZGQJGJSRM-UXBLZVDNSA-N
XLogP2.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.32
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-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone (CID 11138060) is 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone is CO/N=C(\C)c1ccc(C(C)=O)s1.
What is the InChIKey of 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
The InChIKey is SHKPOZGQJGJSRM-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6(10-12-3)8-4-5-9(13-8)7(2)11/h4-5H,1-3H3/b10-6+.
What are the key properties of 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone?
1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone has a molecular weight of 197.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 11138060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).