1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde

C15H13NOS — CID 50742346

IUPAC1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
SMILESCCn1c(-c2cccs2)c(C=O)c2ccccc21
InChIInChI=1S/C15H13NOS/c1-2-16-13-7-4-3-6-11(13)12(10-17)15(16)14-8-5-9-18-14/h3-10H,2H2,1H3
InChIKeyODYRDPZAYNPISY-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.20
Rot. Bonds3

About 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde

1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde (PubChem CID 50742346) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
PubChem CID50742346
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
SMILESCCn1c(-c2cccs2)c(C=O)c2ccccc21
InChIInChI=1S/C15H13NOS/c1-2-16-13-7-4-3-6-11(13)12(10-17)15(16)14-8-5-9-18-14/h3-10H,2H2,1H3
InChIKeyODYRDPZAYNPISY-UHFFFAOYSA-N
XLogP4.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde?
The IUPAC name of 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde (CID 50742346) is 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde is CCn1c(-c2cccs2)c(C=O)c2ccccc21.
What is the InChIKey of 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde?
The InChIKey is ODYRDPZAYNPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-16-13-7-4-3-6-11(13)12(10-17)15(16)14-8-5-9-18-14/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde?
1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde has a molecular weight of 255.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde is sourced from PubChem (CID 50742346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).