5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde

C11H12OS — CID 142577972

IUPAC5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde
SMILESC=Cc1c(C=O)csc1/C=C\CC
InChIInChI=1S/C11H12OS/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h4-8H,2-3H2,1H3/b6-5-
InChIKeyXSDPTXWPTFDPBT-WAYWQWQTSA-N
MW192.28 g/mol
LogP3.63
Rot. Bonds4

About 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde

5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde (PubChem CID 142577972) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde
PubChem CID142577972
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde
SMILESC=Cc1c(C=O)csc1/C=C\CC
InChIInChI=1S/C11H12OS/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h4-8H,2-3H2,1H3/b6-5-
InChIKeyXSDPTXWPTFDPBT-WAYWQWQTSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde (CID 142577972) is 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde is C=Cc1c(C=O)csc1/C=C\CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde?
The InChIKey is XSDPTXWPTFDPBT-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H12OS/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h4-8H,2-3H2,1H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde?
5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde has a molecular weight of 192.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-ethenylthiophene-3-carbaldehyde is sourced from PubChem (CID 142577972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).