4H-indole-4-carbaldehyde

C9H7NO — CID 174960024

IUPAC4H-indole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=CC=C21
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H
InChIKeyAMBZIUIXANYNHE-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.27
Rot. Bonds1

About 4H-indole-4-carbaldehyde

4H-indole-4-carbaldehyde (PubChem CID 174960024) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4H-indole-4-carbaldehyde.

Molecular Properties

Compound Name4H-indole-4-carbaldehyde
PubChem CID174960024
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4H-indole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=CC=C21
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H
InChIKeyAMBZIUIXANYNHE-UHFFFAOYSA-N
XLogP1.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.27
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 4H-indole-4-carbaldehyde?
The IUPAC name of 4H-indole-4-carbaldehyde (CID 174960024) is 4H-indole-4-carbaldehyde.
What is the SMILES notation for 4H-indole-4-carbaldehyde?
The canonical SMILES for 4H-indole-4-carbaldehyde is O=CC1C=CC=C2N=CC=C21.
What is the InChIKey of 4H-indole-4-carbaldehyde?
The InChIKey is AMBZIUIXANYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H.
What are the key properties of 4H-indole-4-carbaldehyde?
4H-indole-4-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-indole-4-carbaldehyde is sourced from PubChem (CID 174960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).