1H-indole-6-carbaldehyde

C9H7NO — CID 2773435

IUPAC1H-indole-6-carbaldehyde
SMILESO=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
InChIKeyVSPBWOAEHQDXRD-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.98
Rot. Bonds1

About 1H-indole-6-carbaldehyde

1H-indole-6-carbaldehyde (PubChem CID 2773435) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name1H-indole-6-carbaldehyde
PubChem CID2773435
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name1H-indole-6-carbaldehyde
SMILESO=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
InChIKeyVSPBWOAEHQDXRD-UHFFFAOYSA-N
XLogP1.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-6-carbaldehyde?
The IUPAC name of 1H-indole-6-carbaldehyde (CID 2773435) is 1H-indole-6-carbaldehyde.
What is the SMILES notation for 1H-indole-6-carbaldehyde?
The canonical SMILES for 1H-indole-6-carbaldehyde is O=Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indole-6-carbaldehyde?
The InChIKey is VSPBWOAEHQDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H.
What are the key properties of 1H-indole-6-carbaldehyde?
1H-indole-6-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-6-carbaldehyde is sourced from PubChem (CID 2773435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).