5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde

C13H15NO3 — CID 82496043

IUPAC5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde
SMILESCOc1cc2c(C)c(C=O)n(C)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)14(2)11(8)7-15/h5-7H,1-4H3
InChIKeyGRDSYMLEOZCVJB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.32
Rot. Bonds3

About 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde

5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde (PubChem CID 82496043) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde
PubChem CID82496043
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde
SMILESCOc1cc2c(C)c(C=O)n(C)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)14(2)11(8)7-15/h5-7H,1-4H3
InChIKeyGRDSYMLEOZCVJB-UHFFFAOYSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
2-formyl-1,3-dimethylindole-6-carbonitrile
CID 105451422
(E)-3-(6-chloro-5-methoxy-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 98035169
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
6-methoxy-1,5-dimethylindole-2-carbaldehyde
CID 105455209
6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802197
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
4-hydroxy-8,9-dimethoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
CID 54705973
5-hydroxy-1,3,7-trimethylindole-2-carbaldehyde
CID 105455218
1,3,4-trimethylindole-2-carbaldehyde
CID 105442636
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde?
The IUPAC name of 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde (CID 82496043) is 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde?
The canonical SMILES for 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde is COc1cc2c(C)c(C=O)n(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde?
The InChIKey is GRDSYMLEOZCVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)14(2)11(8)7-15/h5-7H,1-4H3.
What are the key properties of 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde?
5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 82496043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).