(E)-N-ethoxy-1-thiophen-2-ylethanimine

C8H11NOS — CID 14099081

IUPAC(E)-N-ethoxy-1-thiophen-2-ylethanimine
SMILESCCO/N=C(\C)c1cccs1
InChIInChI=1S/C8H11NOS/c1-3-10-9-7(2)8-5-4-6-11-8/h4-6H,3H2,1-2H3/b9-7+
InChIKeyUPGCCYZJLBFJIG-VQHVLOKHSA-N
MW169.25 g/mol
LogP2.51
Rot. Bonds3

About (E)-N-ethoxy-1-thiophen-2-ylethanimine

(E)-N-ethoxy-1-thiophen-2-ylethanimine (PubChem CID 14099081) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (E)-N-ethoxy-1-thiophen-2-ylethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-thiophen-2-ylethanimine
PubChem CID14099081
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(E)-N-ethoxy-1-thiophen-2-ylethanimine
SMILESCCO/N=C(\C)c1cccs1
InChIInChI=1S/C8H11NOS/c1-3-10-9-7(2)8-5-4-6-11-8/h4-6H,3H2,1-2H3/b9-7+
InChIKeyUPGCCYZJLBFJIG-VQHVLOKHSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-N-ethoxy-1-thiophen-2-ylethanimine?
The IUPAC name of (E)-N-ethoxy-1-thiophen-2-ylethanimine (CID 14099081) is (E)-N-ethoxy-1-thiophen-2-ylethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-thiophen-2-ylethanimine?
The canonical SMILES for (E)-N-ethoxy-1-thiophen-2-ylethanimine is CCO/N=C(\C)c1cccs1.
What is the InChIKey of (E)-N-ethoxy-1-thiophen-2-ylethanimine?
The InChIKey is UPGCCYZJLBFJIG-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-10-9-7(2)8-5-4-6-11-8/h4-6H,3H2,1-2H3/b9-7+.
What are the key properties of (E)-N-ethoxy-1-thiophen-2-ylethanimine?
(E)-N-ethoxy-1-thiophen-2-ylethanimine has a molecular weight of 169.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-thiophen-2-ylethanimine is sourced from PubChem (CID 14099081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).