5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde

C15H15NOS — CID 89344654

IUPAC5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
SMILESCCNc1ccc(/C=C/c2ccc(C=O)s2)cc1
InChIInChI=1S/C15H15NOS/c1-2-16-13-6-3-12(4-7-13)5-8-14-9-10-15(11-17)18-14/h3-11,16H,2H2,1H3/b8-5+
InChIKeyBZROBGMLTXOGKN-VMPITWQZSA-N
MW257.36 g/mol
LogP4.16
Rot. Bonds5

About 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde

5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde (PubChem CID 89344654) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
PubChem CID89344654
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
SMILESCCNc1ccc(/C=C/c2ccc(C=O)s2)cc1
InChIInChI=1S/C15H15NOS/c1-2-16-13-6-3-12(4-7-13)5-8-14-9-10-15(11-17)18-14/h3-11,16H,2H2,1H3/b8-5+
InChIKeyBZROBGMLTXOGKN-VMPITWQZSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde (CID 89344654) is 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde is CCNc1ccc(/C=C/c2ccc(C=O)s2)cc1.
What is the InChIKey of 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The InChIKey is BZROBGMLTXOGKN-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-16-13-6-3-12(4-7-13)5-8-14-9-10-15(11-17)18-14/h3-11,16H,2H2,1H3/b8-5+.
What are the key properties of 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde?
5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde has a molecular weight of 257.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 89344654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).