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

C13H15NO2 — CID 82493307

IUPAC7-ethyl-1,2-dimethylindole-3-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)c(C)n(C)c12
InChIInChI=1S/C13H15NO2/c1-4-9-6-5-7-10-11(13(15)16)8(2)14(3)12(9)10/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyJSAFEUYSXGLBSA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.75
Rot. Bonds2

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

7-ethyl-1,2-dimethylindole-3-carboxylic acid (PubChem CID 82493307) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-ethyl-1,2-dimethylindole-3-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1,2-dimethylindole-3-carboxylic acid
PubChem CID82493307
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7-ethyl-1,2-dimethylindole-3-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)c(C)n(C)c12
InChIInChI=1S/C13H15NO2/c1-4-9-6-5-7-10-11(13(15)16)8(2)14(3)12(9)10/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyJSAFEUYSXGLBSA-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

4-(7-ethyl-1,2-dimethylindol-3-yl)butan-2-one
CID 82497423
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
1-ethyl-9-methylcarbazole
CID 21455608
2,6-diethylbenzoic acid;molecular nitrogen
CID 70486014
2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid
CID 82499374
1,2-dimethyl-7-[1-(2-methylpropyl)pyrazol-4-yl]indole-3-carboxylic acid
CID 171476976
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
7-ethyl-1,3-dimethylindole-2-carbaldehyde
CID 82491522
5-(7-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742263
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
CID 82498702
1-[1-(7-ethyl-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84636329

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2-dimethylindole-3-carboxylic acid?
The IUPAC name of 7-ethyl-1,2-dimethylindole-3-carboxylic acid (CID 82493307) is 7-ethyl-1,2-dimethylindole-3-carboxylic acid.
What is the SMILES notation for 7-ethyl-1,2-dimethylindole-3-carboxylic acid?
The canonical SMILES for 7-ethyl-1,2-dimethylindole-3-carboxylic acid is CCc1cccc2c(C(=O)O)c(C)n(C)c12.
What is the InChIKey of 7-ethyl-1,2-dimethylindole-3-carboxylic acid?
The InChIKey is JSAFEUYSXGLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-6-5-7-10-11(13(15)16)8(2)14(3)12(9)10/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 7-ethyl-1,2-dimethylindole-3-carboxylic acid?
7-ethyl-1,2-dimethylindole-3-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 7-ethyl-1,2-dimethylindole-3-carboxylic acid is sourced from PubChem (CID 82493307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).