2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde

C16H19NO — CID 174583478

IUPAC2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
SMILESCC1CCC(c2c[nH]c3ccccc23)C(C=O)C1
InChIInChI=1S/C16H19NO/c1-11-6-7-13(12(8-11)10-18)15-9-17-16-5-3-2-4-14(15)16/h2-5,9-13,17H,6-8H2,1H3
InChIKeyTZQWYDDLSFKLMN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.89
Rot. Bonds2

About 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde

2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde (PubChem CID 174583478) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
PubChem CID174583478
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
SMILESCC1CCC(c2c[nH]c3ccccc23)C(C=O)C1
InChIInChI=1S/C16H19NO/c1-11-6-7-13(12(8-11)10-18)15-9-17-16-5-3-2-4-14(15)16/h2-5,9-13,17H,6-8H2,1H3
InChIKeyTZQWYDDLSFKLMN-UHFFFAOYSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)-5-methylcyclohexane-1-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 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde?
The IUPAC name of 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde (CID 174583478) is 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde is CC1CCC(c2c[nH]c3ccccc23)C(C=O)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde?
The InChIKey is TZQWYDDLSFKLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-6-7-13(12(8-11)10-18)15-9-17-16-5-3-2-4-14(15)16/h2-5,9-13,17H,6-8H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde?
2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 174583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).