7-methoxy-1H-indole-3-carbaldehyde

C10H9NO2 — CID 4141218

IUPAC7-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1cccc2c(C=O)c[nH]c12
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3
InChIKeyATFRUNSOMCCJDJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.99
Rot. Bonds2

About 7-methoxy-1H-indole-3-carbaldehyde

7-methoxy-1H-indole-3-carbaldehyde (PubChem CID 4141218) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-methoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1H-indole-3-carbaldehyde
PubChem CID4141218
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1cccc2c(C=O)c[nH]c12
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3
InChIKeyATFRUNSOMCCJDJ-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'}

Analyze 7-methoxy-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 7-methoxy-1H-indole-3-carbaldehyde (CID 4141218) is 7-methoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-methoxy-1H-indole-3-carbaldehyde is COc1cccc2c(C=O)c[nH]c12.
What is the InChIKey of 7-methoxy-1H-indole-3-carbaldehyde?
The InChIKey is ATFRUNSOMCCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3.
What are the key properties of 7-methoxy-1H-indole-3-carbaldehyde?
7-methoxy-1H-indole-3-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 7-methoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4141218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).