1-ethyl-5-methoxyindole-3-carbaldehyde

C12H13NO2 — CID 3162229

IUPAC1-ethyl-5-methoxyindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2cc(OC)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-9(8-14)11-6-10(15-2)4-5-12(11)13/h4-8H,3H2,1-2H3
InChIKeyBZTHZIJUZYTAJR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.48
Rot. Bonds3

About 1-ethyl-5-methoxyindole-3-carbaldehyde

1-ethyl-5-methoxyindole-3-carbaldehyde (PubChem CID 3162229) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-5-methoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-methoxyindole-3-carbaldehyde
PubChem CID3162229
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-5-methoxyindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2cc(OC)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-9(8-14)11-6-10(15-2)4-5-12(11)13/h4-8H,3H2,1-2H3
InChIKeyBZTHZIJUZYTAJR-UHFFFAOYSA-N
XLogP2.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.48
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

1-fluoro-5-methoxyindole-3-carbaldehyde
CID 54415390
1-hydroxy-5-methoxyindole-3-carbaldehyde
CID 11206300
1-ethyl-3-formylindole-5-carbonitrile
CID 53415945
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
4-[(5-ethoxy-3-formylindol-1-yl)methyl]benzonitrile
CID 110832178
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
1-[12-[ethyl-[(3-hydroxyphenyl)methyl]amino]dodecyl]-5-methoxyindole-3-carbaldehyde
CID 171355002
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 35494063
2-[[(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 35494269
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxyindole-3-carbaldehyde?
The IUPAC name of 1-ethyl-5-methoxyindole-3-carbaldehyde (CID 3162229) is 1-ethyl-5-methoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-methoxyindole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5-methoxyindole-3-carbaldehyde is CCn1cc(C=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxyindole-3-carbaldehyde?
The InChIKey is BZTHZIJUZYTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-7-9(8-14)11-6-10(15-2)4-5-12(11)13/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methoxyindole-3-carbaldehyde?
1-ethyl-5-methoxyindole-3-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxyindole-3-carbaldehyde is sourced from PubChem (CID 3162229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).