2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde

C17H21NO — CID 3764850

IUPAC2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1cccc2c(C=O)c(C3CCCCC3)[nH]c12
InChIInChI=1S/C17H21NO/c1-2-12-9-6-10-14-15(11-19)17(18-16(12)14)13-7-4-3-5-8-13/h6,9-11,13,18H,2-5,7-8H2,1H3
InChIKeyGJCCERFUWTUWRZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.59
Rot. Bonds3

About 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde

2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde (PubChem CID 3764850) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
PubChem CID3764850
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1cccc2c(C=O)c(C3CCCCC3)[nH]c12
InChIInChI=1S/C17H21NO/c1-2-12-9-6-10-14-15(11-19)17(18-16(12)14)13-7-4-3-5-8-13/h6,9-11,13,18H,2-5,7-8H2,1H3
InChIKeyGJCCERFUWTUWRZ-UHFFFAOYSA-N
XLogP4.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde (CID 3764850) is 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde is CCc1cccc2c(C=O)c(C3CCCCC3)[nH]c12.
What is the InChIKey of 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde?
The InChIKey is GJCCERFUWTUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-12-9-6-10-14-15(11-19)17(18-16(12)14)13-7-4-3-5-8-13/h6,9-11,13,18H,2-5,7-8H2,1H3.
What are the key properties of 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde?
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde has a molecular weight of 255.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).