3-ethylimino-1-thiophen-2-ylpropan-1-one

C9H11NOS — CID 91282235

IUPAC3-ethylimino-1-thiophen-2-ylpropan-1-one
SMILESCC/N=C/CC(=O)c1cccs1
InChIInChI=1S/C9H11NOS/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,6-7H,2,5H2,1H3/b10-6+
InChIKeyFLFZSVHOLZLVIG-UXBLZVDNSA-N
MW181.26 g/mol
LogP2.41
Rot. Bonds4

About 3-ethylimino-1-thiophen-2-ylpropan-1-one

3-ethylimino-1-thiophen-2-ylpropan-1-one (PubChem CID 91282235) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-ethylimino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-ethylimino-1-thiophen-2-ylpropan-1-one
PubChem CID91282235
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name3-ethylimino-1-thiophen-2-ylpropan-1-one
SMILESCC/N=C/CC(=O)c1cccs1
InChIInChI=1S/C9H11NOS/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,6-7H,2,5H2,1H3/b10-6+
InChIKeyFLFZSVHOLZLVIG-UXBLZVDNSA-N
XLogP2.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-ethylimino-1-thiophen-2-ylpropan-1-one (CID 91282235) is 3-ethylimino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-ethylimino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-ethylimino-1-thiophen-2-ylpropan-1-one is CC/N=C/CC(=O)c1cccs1.
What is the InChIKey of 3-ethylimino-1-thiophen-2-ylpropan-1-one?
The InChIKey is FLFZSVHOLZLVIG-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,6-7H,2,5H2,1H3/b10-6+.
What are the key properties of 3-ethylimino-1-thiophen-2-ylpropan-1-one?
3-ethylimino-1-thiophen-2-ylpropan-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91282235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).