3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole

C16H15NS — CID 102241289

IUPAC3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
SMILESCC/C=C/c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C16H15NS/c1-2-3-7-13-12-8-4-5-9-14(12)17-16(13)15-10-6-11-18-15/h3-11,17H,2H2,1H3/b7-3+
InChIKeyBKQVCPZKKPKDOK-XVNBXDOJSA-N
MW253.37 g/mol
LogP5.32
Rot. Bonds3

About 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole

3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole (PubChem CID 102241289) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
PubChem CID102241289
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
SMILESCC/C=C/c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C16H15NS/c1-2-3-7-13-12-8-4-5-9-14(12)17-16(13)15-10-6-11-18-15/h3-11,17H,2H2,1H3/b7-3+
InChIKeyBKQVCPZKKPKDOK-XVNBXDOJSA-N
XLogP5.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
CID 143650330
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
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4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
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3-benzyl-2-thiophen-2-yl-1H-indole
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3-nitro-2-thiophen-2-yl-1H-indole
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2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
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2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 132502200
bis(9H-carbazole);propane
CID 90987002
3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
CID 131886182
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole?
The IUPAC name of 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole (CID 102241289) is 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole is CC/C=C/c1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole?
The InChIKey is BKQVCPZKKPKDOK-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H15NS/c1-2-3-7-13-12-8-4-5-9-14(12)17-16(13)15-10-6-11-18-15/h3-11,17H,2H2,1H3/b7-3+.
What are the key properties of 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole?
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole has a molecular weight of 253.37 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole is sourced from PubChem (CID 102241289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).