7-methoxy-1,3-dimethylindole-2-carbaldehyde

C12H13NO2 — CID 82491728

IUPAC7-methoxy-1,3-dimethylindole-2-carbaldehyde
SMILESCOc1cccc2c(C)c(C=O)n(C)c12
InChIInChI=1S/C12H13NO2/c1-8-9-5-4-6-11(15-3)12(9)13(2)10(8)7-14/h4-7H,1-3H3
InChIKeyKLUVDQJLDFLVFX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds2

About 7-methoxy-1,3-dimethylindole-2-carbaldehyde

7-methoxy-1,3-dimethylindole-2-carbaldehyde (PubChem CID 82491728) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-methoxy-1,3-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1,3-dimethylindole-2-carbaldehyde
PubChem CID82491728
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-methoxy-1,3-dimethylindole-2-carbaldehyde
SMILESCOc1cccc2c(C)c(C=O)n(C)c12
InChIInChI=1S/C12H13NO2/c1-8-9-5-4-6-11(15-3)12(9)13(2)10(8)7-14/h4-7H,1-3H3
InChIKeyKLUVDQJLDFLVFX-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': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3-dimethylindole-2-carbaldehyde?
The IUPAC name of 7-methoxy-1,3-dimethylindole-2-carbaldehyde (CID 82491728) is 7-methoxy-1,3-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1,3-dimethylindole-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1,3-dimethylindole-2-carbaldehyde is COc1cccc2c(C)c(C=O)n(C)c12.
What is the InChIKey of 7-methoxy-1,3-dimethylindole-2-carbaldehyde?
The InChIKey is KLUVDQJLDFLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9-5-4-6-11(15-3)12(9)13(2)10(8)7-14/h4-7H,1-3H3.
What are the key properties of 7-methoxy-1,3-dimethylindole-2-carbaldehyde?
7-methoxy-1,3-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 7-methoxy-1,3-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 82491728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).