6-methoxy-1,5-dimethylindole-2-carbaldehyde

C12H13NO2 — CID 105455209

IUPAC6-methoxy-1,5-dimethylindole-2-carbaldehyde
SMILESCOc1cc2c(cc1C)cc(C=O)n2C
InChIInChI=1S/C12H13NO2/c1-8-4-9-5-10(7-14)13(2)11(9)6-12(8)15-3/h4-7H,1-3H3
InChIKeyMCUMYDMZKDLLFR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds2

About 6-methoxy-1,5-dimethylindole-2-carbaldehyde

6-methoxy-1,5-dimethylindole-2-carbaldehyde (PubChem CID 105455209) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methoxy-1,5-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1,5-dimethylindole-2-carbaldehyde
PubChem CID105455209
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methoxy-1,5-dimethylindole-2-carbaldehyde
SMILESCOc1cc2c(cc1C)cc(C=O)n2C
InChIInChI=1S/C12H13NO2/c1-8-4-9-5-10(7-14)13(2)11(9)6-12(8)15-3/h4-7H,1-3H3
InChIKeyMCUMYDMZKDLLFR-UHFFFAOYSA-N
XLogP2.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802197
5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211
6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
CID 820649
5-(diethylamino)-1-methylindole-2-carbaldehyde
CID 105488256
5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde
CID 82496043
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
5-methoxy-6-methyl-1H-indole-2-carbaldehyde
CID 82404708
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
6-bromo-5-methoxy-1,2-dimethylindole
CID 933997
5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde
CID 15915318

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,5-dimethylindole-2-carbaldehyde?
The IUPAC name of 6-methoxy-1,5-dimethylindole-2-carbaldehyde (CID 105455209) is 6-methoxy-1,5-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-1,5-dimethylindole-2-carbaldehyde?
The canonical SMILES for 6-methoxy-1,5-dimethylindole-2-carbaldehyde is COc1cc2c(cc1C)cc(C=O)n2C.
What is the InChIKey of 6-methoxy-1,5-dimethylindole-2-carbaldehyde?
The InChIKey is MCUMYDMZKDLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-9-5-10(7-14)13(2)11(9)6-12(8)15-3/h4-7H,1-3H3.
What are the key properties of 6-methoxy-1,5-dimethylindole-2-carbaldehyde?
6-methoxy-1,5-dimethylindole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,5-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 105455209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).