ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid

C16H23NO2 — CID 142207725

IUPACethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
SMILESCC.CCn1c(C(=O)O)cc2cc(C(C)C)ccc21
InChIInChI=1S/C14H17NO2.C2H6/c1-4-15-12-6-5-10(9(2)3)7-11(12)8-13(15)14(16)17;1-2/h5-9H,4H2,1-3H3,(H,16,17);1-2H3
InChIKeySQFROAFTHWCIAU-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.51
Rot. Bonds3

About ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid

ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid (PubChem CID 142207725) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid.

Molecular Properties

Compound Nameethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
PubChem CID142207725
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
SMILESCC.CCn1c(C(=O)O)cc2cc(C(C)C)ccc21
InChIInChI=1S/C14H17NO2.C2H6/c1-4-15-12-6-5-10(9(2)3)7-11(12)8-13(15)14(16)17;1-2/h5-9H,4H2,1-3H3,(H,16,17);1-2H3
InChIKeySQFROAFTHWCIAU-UHFFFAOYSA-N
XLogP4.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
1-ethyl-2-methyl-5-propan-2-ylindole
CID 155701279
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxylic acid;5-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxylic acid;5-propyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxylic acid
CID 157476651
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
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
1-ethyl-5-nitroindole-2-carboxylate
CID 22381020

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid?
The IUPAC name of ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid (CID 142207725) is ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid.
What is the SMILES notation for ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid?
The canonical SMILES for ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid is CC.CCn1c(C(=O)O)cc2cc(C(C)C)ccc21.
What is the InChIKey of ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid?
The InChIKey is SQFROAFTHWCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C2H6/c1-4-15-12-6-5-10(9(2)3)7-11(12)8-13(15)14(16)17;1-2/h5-9H,4H2,1-3H3,(H,16,17);1-2H3.
What are the key properties of ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid?
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid has a molecular weight of 261.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid is sourced from PubChem (CID 142207725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).