2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole

C23H24F3NOS — CID 134463424

IUPAC2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
SMILESCOCn1c(C2CCCC2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21
InChIInChI=1S/C23H24F3NOS/c1-15-9-10-17-19(12-15)27(14-28-2)22(16-6-3-4-7-16)21(17)18(13-23(24,25)26)20-8-5-11-29-20/h5,8-13,16H,3-4,6-7,14H2,1-2H3/b18-13-
InChIKeyVCDQCPHSSXIEEE-AQTBWJFISA-N
MW419.51 g/mol
LogP7.27
Rot. Bonds5

About 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole

2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole (PubChem CID 134463424) has the molecular formula C23H24F3NOS and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole.

Molecular Properties

Compound Name2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
PubChem CID134463424
Molecular FormulaC23H24F3NOS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
SMILESCOCn1c(C2CCCC2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21
InChIInChI=1S/C23H24F3NOS/c1-15-9-10-17-19(12-15)27(14-28-2)22(16-6-3-4-7-16)21(17)18(13-23(24,25)26)20-8-5-11-29-20/h5,8-13,16H,3-4,6-7,14H2,1-2H3/b18-13-
InChIKeyVCDQCPHSSXIEEE-AQTBWJFISA-N
XLogP7.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The IUPAC name of 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole (CID 134463424) is 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole.
What is the SMILES notation for 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The canonical SMILES for 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole is COCn1c(C2CCCC2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21.
What is the InChIKey of 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The InChIKey is VCDQCPHSSXIEEE-AQTBWJFISA-N. The full InChI is InChI=1S/C23H24F3NOS/c1-15-9-10-17-19(12-15)27(14-28-2)22(16-6-3-4-7-16)21(17)18(13-23(24,25)26)20-8-5-11-29-20/h5,8-13,16H,3-4,6-7,14H2,1-2H3/b18-13-.
What are the key properties of 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole has a molecular weight of 419.51 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(methoxymethyl)-6-methyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole is sourced from PubChem (CID 134463424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).