6-methoxy-1-methylindole-3-carbaldehyde

C11H11NO2 — CID 1382010

IUPAC6-methoxy-1-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)cn(C)c2c1
InChIInChI=1S/C11H11NO2/c1-12-6-8(7-13)10-4-3-9(14-2)5-11(10)12/h3-7H,1-2H3
InChIKeyWRHNJAIUBFJMEM-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.00
Rot. Bonds2

About 6-methoxy-1-methylindole-3-carbaldehyde

6-methoxy-1-methylindole-3-carbaldehyde (PubChem CID 1382010) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methoxy-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-methylindole-3-carbaldehyde
PubChem CID1382010
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methoxy-1-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)cn(C)c2c1
InChIInChI=1S/C11H11NO2/c1-12-6-8(7-13)10-4-3-9(14-2)5-11(10)12/h3-7H,1-2H3
InChIKeyWRHNJAIUBFJMEM-UHFFFAOYSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylindole-3-carbaldehyde?
The IUPAC name of 6-methoxy-1-methylindole-3-carbaldehyde (CID 1382010) is 6-methoxy-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-methylindole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-1-methylindole-3-carbaldehyde is COc1ccc2c(C=O)cn(C)c2c1.
What is the InChIKey of 6-methoxy-1-methylindole-3-carbaldehyde?
The InChIKey is WRHNJAIUBFJMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-6-8(7-13)10-4-3-9(14-2)5-11(10)12/h3-7H,1-2H3.
What are the key properties of 6-methoxy-1-methylindole-3-carbaldehyde?
6-methoxy-1-methylindole-3-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 1382010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).