hydron;2H-indole-3-carbaldehyde

C9H8NO+ — CID 174963753

IUPAChydron;2H-indole-3-carbaldehyde
SMILESO=CC1=c2ccccc2=NC1.[H+]
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-4,6H,5H2/p+1
InChIKeyXQNKNWQFANPQGF-UHFFFAOYSA-O
MW146.17 g/mol
LogP-0.22
Rot. Bonds1

About hydron;2H-indole-3-carbaldehyde

hydron;2H-indole-3-carbaldehyde (PubChem CID 174963753) has the molecular formula C9H8NO+ and a molecular weight of 146.17 g/mol. Its IUPAC name is hydron;2H-indole-3-carbaldehyde.

Molecular Properties

Compound Namehydron;2H-indole-3-carbaldehyde
PubChem CID174963753
Molecular FormulaC9H8NO+
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Namehydron;2H-indole-3-carbaldehyde
SMILESO=CC1=c2ccccc2=NC1.[H+]
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-4,6H,5H2/p+1
InChIKeyXQNKNWQFANPQGF-UHFFFAOYSA-O
XLogP-0.22
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 ≤ 5-0.22
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;2H-indole-3-carbaldehyde?
The IUPAC name of hydron;2H-indole-3-carbaldehyde (CID 174963753) is hydron;2H-indole-3-carbaldehyde.
What is the SMILES notation for hydron;2H-indole-3-carbaldehyde?
The canonical SMILES for hydron;2H-indole-3-carbaldehyde is O=CC1=c2ccccc2=NC1.[H+].
What is the InChIKey of hydron;2H-indole-3-carbaldehyde?
The InChIKey is XQNKNWQFANPQGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-4,6H,5H2/p+1.
What are the key properties of hydron;2H-indole-3-carbaldehyde?
hydron;2H-indole-3-carbaldehyde has a molecular weight of 146.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2H-indole-3-carbaldehyde is sourced from PubChem (CID 174963753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).