1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid

C14H15NO3 — CID 83947324

IUPAC1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
SMILESCCn1c(C)c(C=O)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H15NO3/c1-4-15-9(3)11(7-16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyIFOYOGCJGQVEFS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.79
Rot. Bonds3

About 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid

1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid (PubChem CID 83947324) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
PubChem CID83947324
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
SMILESCCn1c(C)c(C=O)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H15NO3/c1-4-15-9(3)11(7-16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyIFOYOGCJGQVEFS-UHFFFAOYSA-N
XLogP2.79
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750
1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
1-ethyl-3,6-dimethylindole-7-carboxylic acid
CID 83946322
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
1-butyl-3-ethyl-2,6-dimethylindole-7-carboxylic acid
CID 83964747
1,3-bis(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964764
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964701
1-(3-aminopropyl)-3-butyl-2,6-dimethylindole-7-carboxylic acid
CID 83964774
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
3-formyl-2,7-dimethyl-1-propylindole-5-carboxylic acid
CID 83947234
1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946318
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid?
The IUPAC name of 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid (CID 83947324) is 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid?
The canonical SMILES for 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid is CCn1c(C)c(C=O)c2ccc(C)c(C(=O)O)c21.
What is the InChIKey of 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid?
The InChIKey is IFOYOGCJGQVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-15-9(3)11(7-16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid?
1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83947324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).