hydron;4H-indole-4-carbaldehyde

C9H8NO+ — CID 174960023

IUPAChydron;4H-indole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=CC=C21.[H+]
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H/p+1
InChIKeyAMBZIUIXANYNHE-UHFFFAOYSA-O
MW146.17 g/mol
LogP1.38
Rot. Bonds1

About hydron;4H-indole-4-carbaldehyde

hydron;4H-indole-4-carbaldehyde (PubChem CID 174960023) has the molecular formula C9H8NO+ and a molecular weight of 146.17 g/mol. Its IUPAC name is hydron;4H-indole-4-carbaldehyde.

Molecular Properties

Compound Namehydron;4H-indole-4-carbaldehyde
PubChem CID174960023
Molecular FormulaC9H8NO+
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Namehydron;4H-indole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=CC=C21.[H+]
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H/p+1
InChIKeyAMBZIUIXANYNHE-UHFFFAOYSA-O
XLogP1.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 51.38
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 hydron;4H-indole-4-carbaldehyde?
The IUPAC name of hydron;4H-indole-4-carbaldehyde (CID 174960023) is hydron;4H-indole-4-carbaldehyde.
What is the SMILES notation for hydron;4H-indole-4-carbaldehyde?
The canonical SMILES for hydron;4H-indole-4-carbaldehyde is O=CC1C=CC=C2N=CC=C21.[H+].
What is the InChIKey of hydron;4H-indole-4-carbaldehyde?
The InChIKey is AMBZIUIXANYNHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-7H/p+1.
What are the key properties of hydron;4H-indole-4-carbaldehyde?
hydron;4H-indole-4-carbaldehyde has a molecular weight of 146.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4H-indole-4-carbaldehyde is sourced from PubChem (CID 174960023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).