1-(2-ethylbutyl)indole-7-carbaldehyde

C15H19NO — CID 102910011

IUPAC1-(2-ethylbutyl)indole-7-carbaldehyde
SMILESCCC(CC)Cn1ccc2cccc(C=O)c21
InChIInChI=1S/C15H19NO/c1-3-12(4-2)10-16-9-8-13-6-5-7-14(11-17)15(13)16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyMEZNHQZTICRMOT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-ethylbutyl)indole-7-carbaldehyde

1-(2-ethylbutyl)indole-7-carbaldehyde (PubChem CID 102910011) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-ethylbutyl)indole-7-carbaldehyde.

Molecular Properties

Compound Name1-(2-ethylbutyl)indole-7-carbaldehyde
PubChem CID102910011
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-ethylbutyl)indole-7-carbaldehyde
SMILESCCC(CC)Cn1ccc2cccc(C=O)c21
InChIInChI=1S/C15H19NO/c1-3-12(4-2)10-16-9-8-13-6-5-7-14(11-17)15(13)16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyMEZNHQZTICRMOT-UHFFFAOYSA-N
XLogP3.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethylbutyl)indole-7-carbaldehyde 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 1-(2-ethylbutyl)indole-7-carbaldehyde?
The IUPAC name of 1-(2-ethylbutyl)indole-7-carbaldehyde (CID 102910011) is 1-(2-ethylbutyl)indole-7-carbaldehyde.
What is the SMILES notation for 1-(2-ethylbutyl)indole-7-carbaldehyde?
The canonical SMILES for 1-(2-ethylbutyl)indole-7-carbaldehyde is CCC(CC)Cn1ccc2cccc(C=O)c21.
What is the InChIKey of 1-(2-ethylbutyl)indole-7-carbaldehyde?
The InChIKey is MEZNHQZTICRMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-12(4-2)10-16-9-8-13-6-5-7-14(11-17)15(13)16/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)indole-7-carbaldehyde?
1-(2-ethylbutyl)indole-7-carbaldehyde has a molecular weight of 229.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)indole-7-carbaldehyde is sourced from PubChem (CID 102910011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).