3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole

C15H13NS — CID 134968815

IUPAC3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
SMILESC=C[C@@H](c1ccsc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13NS/c1-2-12(11-7-8-17-10-11)14-9-16-15-6-4-3-5-13(14)15/h2-10,12,16H,1H2/t12-/m0/s1
InChIKeyLUYOYIAEPOQDDG-LBPRGKRZSA-N
MW239.34 g/mol
LogP4.55
Rot. Bonds3

About 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole

3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole (PubChem CID 134968815) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole.

Molecular Properties

Compound Name3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
PubChem CID134968815
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
SMILESC=C[C@@H](c1ccsc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13NS/c1-2-12(11-7-8-17-10-11)14-9-16-15-6-4-3-5-13(14)15/h2-10,12,16H,1H2/t12-/m0/s1
InChIKeyLUYOYIAEPOQDDG-LBPRGKRZSA-N
XLogP4.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
1-(1H-indol-3-yl)-1-thiophen-3-yloctan-4-one
CID 147397910
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile
CID 102393521
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
3-propan-2-yl-1H-indole
CID 12534824
3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole
CID 134163446
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole?
The IUPAC name of 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole (CID 134968815) is 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole.
What is the SMILES notation for 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole?
The canonical SMILES for 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole is C=C[C@@H](c1ccsc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole?
The InChIKey is LUYOYIAEPOQDDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13NS/c1-2-12(11-7-8-17-10-11)14-9-16-15-6-4-3-5-13(14)15/h2-10,12,16H,1H2/t12-/m0/s1.
What are the key properties of 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole?
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole has a molecular weight of 239.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole is sourced from PubChem (CID 134968815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).