1,5-diethylindole-2-carboxylic acid;ethane

C15H21NO2 — CID 142207795

IUPAC1,5-diethylindole-2-carboxylic acid;ethane
SMILESCC.CCc1ccc2c(c1)cc(C(=O)O)n2CC
InChIInChI=1S/C13H15NO2.C2H6/c1-3-9-5-6-11-10(7-9)8-12(13(15)16)14(11)4-2;1-2/h5-8H,3-4H2,1-2H3,(H,15,16);1-2H3
InChIKeyXWNBHOQIQJPRBO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.95
Rot. Bonds3

About 1,5-diethylindole-2-carboxylic acid;ethane

1,5-diethylindole-2-carboxylic acid;ethane (PubChem CID 142207795) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,5-diethylindole-2-carboxylic acid;ethane.

Molecular Properties

Compound Name1,5-diethylindole-2-carboxylic acid;ethane
PubChem CID142207795
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1,5-diethylindole-2-carboxylic acid;ethane
SMILESCC.CCc1ccc2c(c1)cc(C(=O)O)n2CC
InChIInChI=1S/C13H15NO2.C2H6/c1-3-9-5-6-11-10(7-9)8-12(13(15)16)14(11)4-2;1-2/h5-8H,3-4H2,1-2H3,(H,15,16);1-2H3
InChIKeyXWNBHOQIQJPRBO-UHFFFAOYSA-N
XLogP3.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
CID 173096782
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
1-ethyl-6,7-dimethylindole-2-carboxylic acid
CID 105470979
1-ethyl-5-nitroindole-2-carboxylate
CID 22381020
ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate
CID 59979284
4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 12733398
1-ethyl-5-nitroindole-2-carboxylic acid;2-fluorocyclohepta-1,3,5-triene
CID 142911423
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529

Frequently Asked Questions

What is the IUPAC name of 1,5-diethylindole-2-carboxylic acid;ethane?
The IUPAC name of 1,5-diethylindole-2-carboxylic acid;ethane (CID 142207795) is 1,5-diethylindole-2-carboxylic acid;ethane.
What is the SMILES notation for 1,5-diethylindole-2-carboxylic acid;ethane?
The canonical SMILES for 1,5-diethylindole-2-carboxylic acid;ethane is CC.CCc1ccc2c(c1)cc(C(=O)O)n2CC.
What is the InChIKey of 1,5-diethylindole-2-carboxylic acid;ethane?
The InChIKey is XWNBHOQIQJPRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C2H6/c1-3-9-5-6-11-10(7-9)8-12(13(15)16)14(11)4-2;1-2/h5-8H,3-4H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of 1,5-diethylindole-2-carboxylic acid;ethane?
1,5-diethylindole-2-carboxylic acid;ethane has a molecular weight of 247.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethylindole-2-carboxylic acid;ethane is sourced from PubChem (CID 142207795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).