1-benzoylindole-4-carbaldehyde

C16H11NO2 — CID 18973532

IUPAC1-benzoylindole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2C(=O)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-11-13-7-4-8-15-14(13)9-10-17(15)16(19)12-5-2-1-3-6-12/h1-11H
InChIKeyPABMXTVIRUMUKP-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.14
Rot. Bonds2

About 1-benzoylindole-4-carbaldehyde

1-benzoylindole-4-carbaldehyde (PubChem CID 18973532) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-benzoylindole-4-carbaldehyde.

Molecular Properties

Compound Name1-benzoylindole-4-carbaldehyde
PubChem CID18973532
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name1-benzoylindole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2C(=O)c1ccccc1
InChIInChI=1S/C16H11NO2/c18-11-13-7-4-8-15-14(13)9-10-17(15)16(19)12-5-2-1-3-6-12/h1-11H
InChIKeyPABMXTVIRUMUKP-UHFFFAOYSA-N
XLogP3.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzoylindole-4-carbaldehyde?
The IUPAC name of 1-benzoylindole-4-carbaldehyde (CID 18973532) is 1-benzoylindole-4-carbaldehyde.
What is the SMILES notation for 1-benzoylindole-4-carbaldehyde?
The canonical SMILES for 1-benzoylindole-4-carbaldehyde is O=Cc1cccc2c1ccn2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoylindole-4-carbaldehyde?
The InChIKey is PABMXTVIRUMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-11-13-7-4-8-15-14(13)9-10-17(15)16(19)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 1-benzoylindole-4-carbaldehyde?
1-benzoylindole-4-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylindole-4-carbaldehyde is sourced from PubChem (CID 18973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).