2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole

C16H14ClNS — CID 10108133

IUPAC2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole
SMILESCCn1c(Cl)c(/C=C/c2cccs2)c2ccccc21
InChIInChI=1S/C16H14ClNS/c1-2-18-15-8-4-3-7-13(15)14(16(18)17)10-9-12-6-5-11-19-12/h3-11H,2H2,1H3/b10-9+
InChIKeyOTPXLRJJPVTNHJ-MDZDMXLPSA-N
MW287.81 g/mol
LogP5.55
Rot. Bonds3

About 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole

2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole (PubChem CID 10108133) has the molecular formula C16H14ClNS and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole.

Molecular Properties

Compound Name2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole
PubChem CID10108133
Molecular FormulaC16H14ClNS
Molecular Weight287.81 g/mol
Exact Mass287.05
IUPAC Name2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole
SMILESCCn1c(Cl)c(/C=C/c2cccs2)c2ccccc21
InChIInChI=1S/C16H14ClNS/c1-2-18-15-8-4-3-7-13(15)14(16(18)17)10-9-12-6-5-11-19-12/h3-11H,2H2,1H3/b10-9+
InChIKeyOTPXLRJJPVTNHJ-MDZDMXLPSA-N
XLogP5.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.81
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole?
The IUPAC name of 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole (CID 10108133) is 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole.
What is the SMILES notation for 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole?
The canonical SMILES for 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole is CCn1c(Cl)c(/C=C/c2cccs2)c2ccccc21.
What is the InChIKey of 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole?
The InChIKey is OTPXLRJJPVTNHJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-2-18-15-8-4-3-7-13(15)14(16(18)17)10-9-12-6-5-11-19-12/h3-11H,2H2,1H3/b10-9+.
What are the key properties of 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole?
2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole has a molecular weight of 287.81 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole is sourced from PubChem (CID 10108133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).