5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde

C9H9NOS — CID 59825725

IUPAC5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde
SMILESC=C/N=C/Cc1ccc(C=O)s1
InChIInChI=1S/C9H9NOS/c1-2-10-6-5-8-3-4-9(7-11)12-8/h2-4,6-7H,1,5H2/b10-6+
InChIKeyYATTYFFDBHGJSM-UXBLZVDNSA-N
MW179.24 g/mol
LogP2.32
Rot. Bonds4

About 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde

5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde (PubChem CID 59825725) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde
PubChem CID59825725
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde
SMILESC=C/N=C/Cc1ccc(C=O)s1
InChIInChI=1S/C9H9NOS/c1-2-10-6-5-8-3-4-9(7-11)12-8/h2-4,6-7H,1,5H2/b10-6+
InChIKeyYATTYFFDBHGJSM-UXBLZVDNSA-N
XLogP2.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde (CID 59825725) is 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde is C=C/N=C/Cc1ccc(C=O)s1.
What is the InChIKey of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde?
The InChIKey is YATTYFFDBHGJSM-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9NOS/c1-2-10-6-5-8-3-4-9(7-11)12-8/h2-4,6-7H,1,5H2/b10-6+.
What are the key properties of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde?
5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde has a molecular weight of 179.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 59825725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).