2-[(E)-pent-1-enyl]-1-benzothiophene

C13H14S — CID 56648426

IUPAC2-[(E)-pent-1-enyl]-1-benzothiophene
SMILESCCC/C=C/c1cc2ccccc2s1
InChIInChI=1S/C13H14S/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h4-10H,2-3H2,1H3/b8-4+
InChIKeyCOYZQLBTYDCGPF-XBXARRHUSA-N
MW202.32 g/mol
LogP4.71
Rot. Bonds3

About 2-[(E)-pent-1-enyl]-1-benzothiophene

2-[(E)-pent-1-enyl]-1-benzothiophene (PubChem CID 56648426) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(E)-pent-1-enyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(E)-pent-1-enyl]-1-benzothiophene
PubChem CID56648426
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2-[(E)-pent-1-enyl]-1-benzothiophene
SMILESCCC/C=C/c1cc2ccccc2s1
InChIInChI=1S/C13H14S/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h4-10H,2-3H2,1H3/b8-4+
InChIKeyCOYZQLBTYDCGPF-XBXARRHUSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-benzothiophen-2-yl)-N-methylbut-3-en-1-amine
CID 170495877
methyl 4-(1-benzothiophen-2-yl)but-3-enoate
CID 170501008
9-pent-1-enylanthracene
CID 173045692
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
ethyl (2E,4E)-5-(1-benzothiophen-2-yl)penta-2,4-dienoate
CID 23650873
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
1-[(E)-pent-1-enyl]anthracene
CID 173041440
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129
ethyl 5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophene-2-carboxylate
CID 14696267

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-1-enyl]-1-benzothiophene?
The IUPAC name of 2-[(E)-pent-1-enyl]-1-benzothiophene (CID 56648426) is 2-[(E)-pent-1-enyl]-1-benzothiophene.
What is the SMILES notation for 2-[(E)-pent-1-enyl]-1-benzothiophene?
The canonical SMILES for 2-[(E)-pent-1-enyl]-1-benzothiophene is CCC/C=C/c1cc2ccccc2s1.
What is the InChIKey of 2-[(E)-pent-1-enyl]-1-benzothiophene?
The InChIKey is COYZQLBTYDCGPF-XBXARRHUSA-N. The full InChI is InChI=1S/C13H14S/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h4-10H,2-3H2,1H3/b8-4+.
What are the key properties of 2-[(E)-pent-1-enyl]-1-benzothiophene?
2-[(E)-pent-1-enyl]-1-benzothiophene has a molecular weight of 202.32 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-1-enyl]-1-benzothiophene is sourced from PubChem (CID 56648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).