3-(3-butylphenyl)indole-1-carbaldehyde

C19H19NO — CID 169241923

IUPAC3-(3-butylphenyl)indole-1-carbaldehyde
SMILESCCCCc1cccc(-c2cn(C=O)c3ccccc23)c1
InChIInChI=1S/C19H19NO/c1-2-3-7-15-8-6-9-16(12-15)18-13-20(14-21)19-11-5-4-10-17(18)19/h4-6,8-14H,2-3,7H2,1H3
InChIKeyGNPDDUOPZKOVBP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.69
Rot. Bonds5

About 3-(3-butylphenyl)indole-1-carbaldehyde

3-(3-butylphenyl)indole-1-carbaldehyde (PubChem CID 169241923) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(3-butylphenyl)indole-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-butylphenyl)indole-1-carbaldehyde
PubChem CID169241923
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(3-butylphenyl)indole-1-carbaldehyde
SMILESCCCCc1cccc(-c2cn(C=O)c3ccccc23)c1
InChIInChI=1S/C19H19NO/c1-2-3-7-15-8-6-9-16(12-15)18-13-20(14-21)19-11-5-4-10-17(18)19/h4-6,8-14H,2-3,7H2,1H3
InChIKeyGNPDDUOPZKOVBP-UHFFFAOYSA-N
XLogP4.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.69
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 3-(3-butylphenyl)indole-1-carbaldehyde?
The IUPAC name of 3-(3-butylphenyl)indole-1-carbaldehyde (CID 169241923) is 3-(3-butylphenyl)indole-1-carbaldehyde.
What is the SMILES notation for 3-(3-butylphenyl)indole-1-carbaldehyde?
The canonical SMILES for 3-(3-butylphenyl)indole-1-carbaldehyde is CCCCc1cccc(-c2cn(C=O)c3ccccc23)c1.
What is the InChIKey of 3-(3-butylphenyl)indole-1-carbaldehyde?
The InChIKey is GNPDDUOPZKOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-3-7-15-8-6-9-16(12-15)18-13-20(14-21)19-11-5-4-10-17(18)19/h4-6,8-14H,2-3,7H2,1H3.
What are the key properties of 3-(3-butylphenyl)indole-1-carbaldehyde?
3-(3-butylphenyl)indole-1-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylphenyl)indole-1-carbaldehyde is sourced from PubChem (CID 169241923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).