4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde

C10H10OS — CID 138612930

IUPAC4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
SMILESC=Cc1c(C=O)csc1/C=C\C
InChIInChI=1S/C10H10OS/c1-3-5-10-9(4-2)8(6-11)7-12-10/h3-7H,2H2,1H3/b5-3-
InChIKeyBKWGDJUGNLVPEW-HYXAFXHYSA-N
MW178.26 g/mol
LogP3.24
Rot. Bonds3

About 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde

4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde (PubChem CID 138612930) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
PubChem CID138612930
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
SMILESC=Cc1c(C=O)csc1/C=C\C
InChIInChI=1S/C10H10OS/c1-3-5-10-9(4-2)8(6-11)7-12-10/h3-7H,2H2,1H3/b5-3-
InChIKeyBKWGDJUGNLVPEW-HYXAFXHYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.24
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 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde?
The IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde (CID 138612930) is 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde?
The canonical SMILES for 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde is C=Cc1c(C=O)csc1/C=C\C.
What is the InChIKey of 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde?
The InChIKey is BKWGDJUGNLVPEW-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H10OS/c1-3-5-10-9(4-2)8(6-11)7-12-10/h3-7H,2H2,1H3/b5-3-.
What are the key properties of 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde?
4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde has a molecular weight of 178.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 138612930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).