2-ethenyl-1H-indole;thiophene-2-carbaldehyde

C15H13NOS — CID 174484056

IUPAC2-ethenyl-1H-indole;thiophene-2-carbaldehyde
SMILESC=Cc1cc2ccccc2[nH]1.O=Cc1cccs1
InChIInChI=1S/C10H9N.C5H4OS/c1-2-9-7-8-5-3-4-6-10(8)11-9;6-4-5-2-1-3-7-5/h2-7,11H,1H2;1-4H
InChIKeyNPOLYAWXHPUYCD-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.37
Rot. Bonds2

About 2-ethenyl-1H-indole;thiophene-2-carbaldehyde

2-ethenyl-1H-indole;thiophene-2-carbaldehyde (PubChem CID 174484056) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethenyl-1H-indole;thiophene-2-carbaldehyde.

Molecular Properties

Compound Name2-ethenyl-1H-indole;thiophene-2-carbaldehyde
PubChem CID174484056
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-ethenyl-1H-indole;thiophene-2-carbaldehyde
SMILESC=Cc1cc2ccccc2[nH]1.O=Cc1cccs1
InChIInChI=1S/C10H9N.C5H4OS/c1-2-9-7-8-5-3-4-6-10(8)11-9;6-4-5-2-1-3-7-5/h2-7,11H,1H2;1-4H
InChIKeyNPOLYAWXHPUYCD-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole;thiophene-2-carbaldehyde
CID 174706827
thiophene-2-carbaldehyde;hydrobromide
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CID 18504239
dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
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3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
CID 136504640
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
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1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
2-aminoacetic acid;thiophene-2-carbaldehyde
CID 23295605
3-(1H-indol-2-yl)-2-sulfanylprop-2-enoic acid
CID 73474273
3-(1H-indol-2-ylmethylidene)indene-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-indole;thiophene-2-carbaldehyde?
The IUPAC name of 2-ethenyl-1H-indole;thiophene-2-carbaldehyde (CID 174484056) is 2-ethenyl-1H-indole;thiophene-2-carbaldehyde.
What is the SMILES notation for 2-ethenyl-1H-indole;thiophene-2-carbaldehyde?
The canonical SMILES for 2-ethenyl-1H-indole;thiophene-2-carbaldehyde is C=Cc1cc2ccccc2[nH]1.O=Cc1cccs1.
What is the InChIKey of 2-ethenyl-1H-indole;thiophene-2-carbaldehyde?
The InChIKey is NPOLYAWXHPUYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C5H4OS/c1-2-9-7-8-5-3-4-6-10(8)11-9;6-4-5-2-1-3-7-5/h2-7,11H,1H2;1-4H.
What are the key properties of 2-ethenyl-1H-indole;thiophene-2-carbaldehyde?
2-ethenyl-1H-indole;thiophene-2-carbaldehyde has a molecular weight of 255.34 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-indole;thiophene-2-carbaldehyde is sourced from PubChem (CID 174484056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).