2-methoxy-1H-indole-6-carbaldehyde

C10H9NO2 — CID 156692424

IUPAC2-methoxy-1H-indole-6-carbaldehyde
SMILESCOc1cc2ccc(C=O)cc2[nH]1
InChIInChI=1S/C10H9NO2/c1-13-10-5-8-3-2-7(6-12)4-9(8)11-10/h2-6,11H,1H3
InChIKeySESQZDYTSPHNDT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.99
Rot. Bonds2

About 2-methoxy-1H-indole-6-carbaldehyde

2-methoxy-1H-indole-6-carbaldehyde (PubChem CID 156692424) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methoxy-1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-1H-indole-6-carbaldehyde
PubChem CID156692424
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-methoxy-1H-indole-6-carbaldehyde
SMILESCOc1cc2ccc(C=O)cc2[nH]1
InChIInChI=1S/C10H9NO2/c1-13-10-5-8-3-2-7(6-12)4-9(8)11-10/h2-6,11H,1H3
InChIKeySESQZDYTSPHNDT-UHFFFAOYSA-N
XLogP1.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 2-methoxy-1H-indole-6-carbaldehyde?
The IUPAC name of 2-methoxy-1H-indole-6-carbaldehyde (CID 156692424) is 2-methoxy-1H-indole-6-carbaldehyde.
What is the SMILES notation for 2-methoxy-1H-indole-6-carbaldehyde?
The canonical SMILES for 2-methoxy-1H-indole-6-carbaldehyde is COc1cc2ccc(C=O)cc2[nH]1.
What is the InChIKey of 2-methoxy-1H-indole-6-carbaldehyde?
The InChIKey is SESQZDYTSPHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10-5-8-3-2-7(6-12)4-9(8)11-10/h2-6,11H,1H3.
What are the key properties of 2-methoxy-1H-indole-6-carbaldehyde?
2-methoxy-1H-indole-6-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1H-indole-6-carbaldehyde is sourced from PubChem (CID 156692424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).