5-ethyl-1,3-dimethylindole-7-carboxylic acid

C13H15NO2 — CID 83946143

IUPAC5-ethyl-1,3-dimethylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C)cn2C
InChIInChI=1S/C13H15NO2/c1-4-9-5-10-8(2)7-14(3)12(10)11(6-9)13(15)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyPBZDCXSGWIHYHM-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.75
Rot. Bonds2

About 5-ethyl-1,3-dimethylindole-7-carboxylic acid

5-ethyl-1,3-dimethylindole-7-carboxylic acid (PubChem CID 83946143) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,3-dimethylindole-7-carboxylic acid
PubChem CID83946143
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-ethyl-1,3-dimethylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C)cn2C
InChIInChI=1S/C13H15NO2/c1-4-9-5-10-8(2)7-14(3)12(10)11(6-9)13(15)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyPBZDCXSGWIHYHM-UHFFFAOYSA-N
XLogP2.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83946210
5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
CID 83946131
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
3-butyl-5-ethyl-1-(2-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83964499
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184298
1-butyl-5-ethyl-3-(3-hydroxypropyl)-2-methylindole-7-carboxylic acid
CID 83964551
5-ethyl-3-formyl-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83947294
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethylindole-7-carboxylic acid?
The IUPAC name of 5-ethyl-1,3-dimethylindole-7-carboxylic acid (CID 83946143) is 5-ethyl-1,3-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,3-dimethylindole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-1,3-dimethylindole-7-carboxylic acid is CCc1cc(C(=O)O)c2c(c1)c(C)cn2C.
What is the InChIKey of 5-ethyl-1,3-dimethylindole-7-carboxylic acid?
The InChIKey is PBZDCXSGWIHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-5-10-8(2)7-14(3)12(10)11(6-9)13(15)16/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-ethyl-1,3-dimethylindole-7-carboxylic acid?
5-ethyl-1,3-dimethylindole-7-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83946143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).