3-[(E)-but-1-enyl]thiophene

C8H10S — CID 15047169

IUPAC3-[(E)-but-1-enyl]thiophene
SMILESCC/C=C/c1ccsc1
InChIInChI=1S/C8H10S/c1-2-3-4-8-5-6-9-7-8/h3-7H,2H2,1H3/b4-3+
InChIKeyQMHDXQWSLPOBSP-ONEGZZNKSA-N
MW138.23 g/mol
LogP3.17
Rot. Bonds2

About 3-[(E)-but-1-enyl]thiophene

3-[(E)-but-1-enyl]thiophene (PubChem CID 15047169) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]thiophene.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]thiophene
PubChem CID15047169
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name3-[(E)-but-1-enyl]thiophene
SMILESCC/C=C/c1ccsc1
InChIInChI=1S/C8H10S/c1-2-3-4-8-5-6-9-7-8/h3-7H,2H2,1H3/b4-3+
InChIKeyQMHDXQWSLPOBSP-ONEGZZNKSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]thiophene?
The IUPAC name of 3-[(E)-but-1-enyl]thiophene (CID 15047169) is 3-[(E)-but-1-enyl]thiophene.
What is the SMILES notation for 3-[(E)-but-1-enyl]thiophene?
The canonical SMILES for 3-[(E)-but-1-enyl]thiophene is CC/C=C/c1ccsc1.
What is the InChIKey of 3-[(E)-but-1-enyl]thiophene?
The InChIKey is QMHDXQWSLPOBSP-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10S/c1-2-3-4-8-5-6-9-7-8/h3-7H,2H2,1H3/b4-3+.
What are the key properties of 3-[(E)-but-1-enyl]thiophene?
3-[(E)-but-1-enyl]thiophene has a molecular weight of 138.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]thiophene is sourced from PubChem (CID 15047169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).