1-(cyclohexylmethyl)indole-5-carbaldehyde

C16H19NO — CID 102910537

IUPAC1-(cyclohexylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2CCCCC2)c1
InChIInChI=1S/C16H19NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2
InChIKeyZOFPTJKTZIIHFO-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.03
Rot. Bonds3

About 1-(cyclohexylmethyl)indole-5-carbaldehyde

1-(cyclohexylmethyl)indole-5-carbaldehyde (PubChem CID 102910537) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexylmethyl)indole-5-carbaldehyde
PubChem CID102910537
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(cyclohexylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2CCCCC2)c1
InChIInChI=1S/C16H19NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2
InChIKeyZOFPTJKTZIIHFO-UHFFFAOYSA-N
XLogP4.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.03
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 1-(cyclohexylmethyl)indole-5-carbaldehyde?
The IUPAC name of 1-(cyclohexylmethyl)indole-5-carbaldehyde (CID 102910537) is 1-(cyclohexylmethyl)indole-5-carbaldehyde.
What is the SMILES notation for 1-(cyclohexylmethyl)indole-5-carbaldehyde?
The canonical SMILES for 1-(cyclohexylmethyl)indole-5-carbaldehyde is O=Cc1ccc2c(ccn2CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)indole-5-carbaldehyde?
The InChIKey is ZOFPTJKTZIIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2.
What are the key properties of 1-(cyclohexylmethyl)indole-5-carbaldehyde?
1-(cyclohexylmethyl)indole-5-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)indole-5-carbaldehyde is sourced from PubChem (CID 102910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).