2-(1-ethyl-3-methylindol-6-yl)acetaldehyde

C13H15NO — CID 117204948

IUPAC2-(1-ethyl-3-methylindol-6-yl)acetaldehyde
SMILESCCn1cc(C)c2ccc(CC=O)cc21
InChIInChI=1S/C13H15NO/c1-3-14-9-10(2)12-5-4-11(6-7-15)8-13(12)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJZJUXDFEKPKKKT-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds3

About 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde

2-(1-ethyl-3-methylindol-6-yl)acetaldehyde (PubChem CID 117204948) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethyl-3-methylindol-6-yl)acetaldehyde
PubChem CID117204948
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(1-ethyl-3-methylindol-6-yl)acetaldehyde
SMILESCCn1cc(C)c2ccc(CC=O)cc21
InChIInChI=1S/C13H15NO/c1-3-14-9-10(2)12-5-4-11(6-7-15)8-13(12)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJZJUXDFEKPKKKT-UHFFFAOYSA-N
XLogP2.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde?
The IUPAC name of 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde (CID 117204948) is 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde is CCn1cc(C)c2ccc(CC=O)cc21.
What is the InChIKey of 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde?
The InChIKey is JZJUXDFEKPKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-14-9-10(2)12-5-4-11(6-7-15)8-13(12)14/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde?
2-(1-ethyl-3-methylindol-6-yl)acetaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylindol-6-yl)acetaldehyde is sourced from PubChem (CID 117204948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).