3-(1-methylindol-2-yl)thiophene-2-carbaldehyde

C14H11NOS — CID 82387318

IUPAC3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
SMILESCn1c(-c2ccsc2C=O)cc2ccccc21
InChIInChI=1S/C14H11NOS/c1-15-12-5-3-2-4-10(12)8-13(15)11-6-7-17-14(11)9-16/h2-9H,1H3
InChIKeySRNCNCHIZYTQFE-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.72
Rot. Bonds2

About 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde

3-(1-methylindol-2-yl)thiophene-2-carbaldehyde (PubChem CID 82387318) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
PubChem CID82387318
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
SMILESCn1c(-c2ccsc2C=O)cc2ccccc21
InChIInChI=1S/C14H11NOS/c1-15-12-5-3-2-4-10(12)8-13(15)11-6-7-17-14(11)9-16/h2-9H,1H3
InChIKeySRNCNCHIZYTQFE-UHFFFAOYSA-N
XLogP3.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.72
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 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde (CID 82387318) is 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde is Cn1c(-c2ccsc2C=O)cc2ccccc21.
What is the InChIKey of 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde?
The InChIKey is SRNCNCHIZYTQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-15-12-5-3-2-4-10(12)8-13(15)11-6-7-17-14(11)9-16/h2-9H,1H3.
What are the key properties of 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde?
3-(1-methylindol-2-yl)thiophene-2-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82387318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).