N-(1-thiophen-2-ylbut-3-enyl)aniline

C14H15NS — CID 11629991

IUPACN-(1-thiophen-2-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccccc1)c1cccs1
InChIInChI=1S/C14H15NS/c1-2-7-13(14-10-6-11-16-14)15-12-8-4-3-5-9-12/h2-6,8-11,13,15H,1,7H2
InChIKeyOCGSQXWJDWBJNR-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.48
Rot. Bonds5

About N-(1-thiophen-2-ylbut-3-enyl)aniline

N-(1-thiophen-2-ylbut-3-enyl)aniline (PubChem CID 11629991) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbut-3-enyl)aniline.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbut-3-enyl)aniline
PubChem CID11629991
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-(1-thiophen-2-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccccc1)c1cccs1
InChIInChI=1S/C14H15NS/c1-2-7-13(14-10-6-11-16-14)15-12-8-4-3-5-9-12/h2-6,8-11,13,15H,1,7H2
InChIKeyOCGSQXWJDWBJNR-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbut-3-enyl)aniline?
The IUPAC name of N-(1-thiophen-2-ylbut-3-enyl)aniline (CID 11629991) is N-(1-thiophen-2-ylbut-3-enyl)aniline.
What is the SMILES notation for N-(1-thiophen-2-ylbut-3-enyl)aniline?
The canonical SMILES for N-(1-thiophen-2-ylbut-3-enyl)aniline is C=CCC(Nc1ccccc1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbut-3-enyl)aniline?
The InChIKey is OCGSQXWJDWBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-7-13(14-10-6-11-16-14)15-12-8-4-3-5-9-12/h2-6,8-11,13,15H,1,7H2.
What are the key properties of N-(1-thiophen-2-ylbut-3-enyl)aniline?
N-(1-thiophen-2-ylbut-3-enyl)aniline has a molecular weight of 229.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbut-3-enyl)aniline is sourced from PubChem (CID 11629991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).