5-thiophen-3-ylpent-4-enal

C9H10OS — CID 90043715

IUPAC5-thiophen-3-ylpent-4-enal
SMILESO=CCCC=Cc1ccsc1
InChIInChI=1S/C9H10OS/c10-6-3-1-2-4-9-5-7-11-8-9/h2,4-8H,1,3H2
InChIKeyQWBDQVHQBLWSEW-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.74
Rot. Bonds4

About 5-thiophen-3-ylpent-4-enal

5-thiophen-3-ylpent-4-enal (PubChem CID 90043715) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 5-thiophen-3-ylpent-4-enal.

Molecular Properties

Compound Name5-thiophen-3-ylpent-4-enal
PubChem CID90043715
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name5-thiophen-3-ylpent-4-enal
SMILESO=CCCC=Cc1ccsc1
InChIInChI=1S/C9H10OS/c10-6-3-1-2-4-9-5-7-11-8-9/h2,4-8H,1,3H2
InChIKeyQWBDQVHQBLWSEW-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-ylpent-4-enal?
The IUPAC name of 5-thiophen-3-ylpent-4-enal (CID 90043715) is 5-thiophen-3-ylpent-4-enal.
What is the SMILES notation for 5-thiophen-3-ylpent-4-enal?
The canonical SMILES for 5-thiophen-3-ylpent-4-enal is O=CCCC=Cc1ccsc1.
What is the InChIKey of 5-thiophen-3-ylpent-4-enal?
The InChIKey is QWBDQVHQBLWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-6-3-1-2-4-9-5-7-11-8-9/h2,4-8H,1,3H2.
What are the key properties of 5-thiophen-3-ylpent-4-enal?
5-thiophen-3-ylpent-4-enal has a molecular weight of 166.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylpent-4-enal is sourced from PubChem (CID 90043715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).