2-(5-methylindol-1-yl)acetaldehyde

C11H11NO — CID 63554780

IUPAC2-(5-methylindol-1-yl)acetaldehyde
SMILESCc1ccc2c(ccn2CC=O)c1
InChIInChI=1S/C11H11NO/c1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2-5,7-8H,6H2,1H3
InChIKeyPBSXIIKUKZTAOB-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.15
Rot. Bonds2

About 2-(5-methylindol-1-yl)acetaldehyde

2-(5-methylindol-1-yl)acetaldehyde (PubChem CID 63554780) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)acetaldehyde
PubChem CID63554780
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-(5-methylindol-1-yl)acetaldehyde
SMILESCc1ccc2c(ccn2CC=O)c1
InChIInChI=1S/C11H11NO/c1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2-5,7-8H,6H2,1H3
InChIKeyPBSXIIKUKZTAOB-UHFFFAOYSA-N
XLogP2.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methylindol-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-methylindol-1-yl)acetaldehyde (CID 63554780) is 2-(5-methylindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methylindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-methylindol-1-yl)acetaldehyde is Cc1ccc2c(ccn2CC=O)c1.
What is the InChIKey of 2-(5-methylindol-1-yl)acetaldehyde?
The InChIKey is PBSXIIKUKZTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(5-methylindol-1-yl)acetaldehyde?
2-(5-methylindol-1-yl)acetaldehyde has a molecular weight of 173.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)acetaldehyde is sourced from PubChem (CID 63554780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).