5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde

C15H13NO2S — CID 87816035

IUPAC5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde
SMILESCC(c1cccs1)c1[nH]c2ccc(O)cc2c1C=O
InChIInChI=1S/C15H13NO2S/c1-9(14-3-2-6-19-14)15-12(8-17)11-7-10(18)4-5-13(11)16-15/h2-9,16,18H,1H3
InChIKeyHKASXGNXTSYSKN-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.90
Rot. Bonds3

About 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde

5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde (PubChem CID 87816035) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde
PubChem CID87816035
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde
SMILESCC(c1cccs1)c1[nH]c2ccc(O)cc2c1C=O
InChIInChI=1S/C15H13NO2S/c1-9(14-3-2-6-19-14)15-12(8-17)11-7-10(18)4-5-13(11)16-15/h2-9,16,18H,1H3
InChIKeyHKASXGNXTSYSKN-UHFFFAOYSA-N
XLogP3.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
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 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde (CID 87816035) is 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde is CC(c1cccs1)c1[nH]c2ccc(O)cc2c1C=O.
What is the InChIKey of 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde?
The InChIKey is HKASXGNXTSYSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-9(14-3-2-6-19-14)15-12(8-17)11-7-10(18)4-5-13(11)16-15/h2-9,16,18H,1H3.
What are the key properties of 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde?
5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde has a molecular weight of 271.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 87816035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).