1-cyclobutylindole-6-carbaldehyde

C13H13NO — CID 115115247

IUPAC1-cyclobutylindole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(C3CCC3)c2c1
InChIInChI=1S/C13H13NO/c15-9-10-4-5-11-6-7-14(13(11)8-10)12-2-1-3-12/h4-9,12H,1-3H2
InChIKeyRFOYOJVJJODGIN-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.18
Rot. Bonds2

About 1-cyclobutylindole-6-carbaldehyde

1-cyclobutylindole-6-carbaldehyde (PubChem CID 115115247) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-cyclobutylindole-6-carbaldehyde.

Molecular Properties

Compound Name1-cyclobutylindole-6-carbaldehyde
PubChem CID115115247
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-cyclobutylindole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(C3CCC3)c2c1
InChIInChI=1S/C13H13NO/c15-9-10-4-5-11-6-7-14(13(11)8-10)12-2-1-3-12/h4-9,12H,1-3H2
InChIKeyRFOYOJVJJODGIN-UHFFFAOYSA-N
XLogP3.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.18
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-cyclobutylindole-6-carbaldehyde?
The IUPAC name of 1-cyclobutylindole-6-carbaldehyde (CID 115115247) is 1-cyclobutylindole-6-carbaldehyde.
What is the SMILES notation for 1-cyclobutylindole-6-carbaldehyde?
The canonical SMILES for 1-cyclobutylindole-6-carbaldehyde is O=Cc1ccc2ccn(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutylindole-6-carbaldehyde?
The InChIKey is RFOYOJVJJODGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-9-10-4-5-11-6-7-14(13(11)8-10)12-2-1-3-12/h4-9,12H,1-3H2.
What are the key properties of 1-cyclobutylindole-6-carbaldehyde?
1-cyclobutylindole-6-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylindole-6-carbaldehyde is sourced from PubChem (CID 115115247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).