2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole

C20H17NS — CID 144848350

IUPAC2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
SMILESC=Cc1c(-c2c(C)sc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C20H17NS/c1-4-16-20(14-9-5-7-11-17(14)21(16)3)19-13(2)22-18-12-8-6-10-15(18)19/h4-12H,1H2,2-3H3
InChIKeyXAHRHGJHPSCRNK-UHFFFAOYSA-N
MW303.43 g/mol
LogP6.01
Rot. Bonds2

About 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole

2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole (PubChem CID 144848350) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole.

Molecular Properties

Compound Name2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
PubChem CID144848350
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC Name2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
SMILESC=Cc1c(-c2c(C)sc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C20H17NS/c1-4-16-20(14-9-5-7-11-17(14)21(16)3)19-13(2)22-18-12-8-6-10-15(18)19/h4-12H,1H2,2-3H3
InChIKeyXAHRHGJHPSCRNK-UHFFFAOYSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethenyl-1-methylindol-3-yl)methanimine
CID 142955095
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
CID 23588707
3-(2-bromophenyl)-2-methyl-1-benzothiophene
CID 147947842
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
1-butyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindole
CID 129295391
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
3-(1,2-dimethylindol-3-yl)-4-(2,4,5-trimethylthiophen-3-yl)furan-2,5-dione
CID 11772955
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
ethane;bis(9-methylcarbazole)
CID 159710949
1-[2,3-bis(ethenyl)-1-methylindol-7-yl]-9-methylcarbazole
CID 145430239

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole?
The IUPAC name of 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole (CID 144848350) is 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole.
What is the SMILES notation for 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole?
The canonical SMILES for 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole is C=Cc1c(-c2c(C)sc3ccccc23)c2ccccc2n1C.
What is the InChIKey of 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole?
The InChIKey is XAHRHGJHPSCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NS/c1-4-16-20(14-9-5-7-11-17(14)21(16)3)19-13(2)22-18-12-8-6-10-15(18)19/h4-12H,1H2,2-3H3.
What are the key properties of 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole?
2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole has a molecular weight of 303.43 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole is sourced from PubChem (CID 144848350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).