2,3,5-trimethyl-1-propylindole-7-carboxylic acid

C15H19NO2 — CID 83964415

IUPAC2,3,5-trimethyl-1-propylindole-7-carboxylic acid
SMILESCCCn1c(C)c(C)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H19NO2/c1-5-6-16-11(4)10(3)12-7-9(2)8-13(14(12)16)15(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyLZDZHUQIXLMZJL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.67
Rot. Bonds3

About 2,3,5-trimethyl-1-propylindole-7-carboxylic acid

2,3,5-trimethyl-1-propylindole-7-carboxylic acid (PubChem CID 83964415) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-propylindole-7-carboxylic acid.

Molecular Properties

Compound Name2,3,5-trimethyl-1-propylindole-7-carboxylic acid
PubChem CID83964415
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,3,5-trimethyl-1-propylindole-7-carboxylic acid
SMILESCCCn1c(C)c(C)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H19NO2/c1-5-6-16-11(4)10(3)12-7-9(2)8-13(14(12)16)15(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyLZDZHUQIXLMZJL-UHFFFAOYSA-N
XLogP3.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-formyl-2,5-dimethyl-1-propylindole-7-carboxylic acid
CID 83947261
1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
3-formyl-5-methyl-1-propylindole-7-carboxylic acid
CID 83947946
1-(3-hydroxypropyl)-2,5-dimethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83964458
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
3-butyl-5-ethyl-1-(2-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83964499
1-(2-aminoethyl)-2,3-dimethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964676
1-butyl-5-ethyl-3-(3-hydroxypropyl)-2-methylindole-7-carboxylic acid
CID 83964551
3-acetyl-5-tert-butyl-2-methyl-1-propylindole-7-carboxylic acid
CID 83947070
1-ethyl-3-(1-hydroxyethyl)-2,5-dimethylindole-7-carboxylic acid
CID 83964382
3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
CID 83964390
1-(3-aminopropyl)-3-(1-hydroxyethyl)-2,5-dimethylindole-7-carboxylic acid
CID 83964464

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-propylindole-7-carboxylic acid?
The IUPAC name of 2,3,5-trimethyl-1-propylindole-7-carboxylic acid (CID 83964415) is 2,3,5-trimethyl-1-propylindole-7-carboxylic acid.
What is the SMILES notation for 2,3,5-trimethyl-1-propylindole-7-carboxylic acid?
The canonical SMILES for 2,3,5-trimethyl-1-propylindole-7-carboxylic acid is CCCn1c(C)c(C)c2cc(C)cc(C(=O)O)c21.
What is the InChIKey of 2,3,5-trimethyl-1-propylindole-7-carboxylic acid?
The InChIKey is LZDZHUQIXLMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-6-16-11(4)10(3)12-7-9(2)8-13(14(12)16)15(17)18/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2,3,5-trimethyl-1-propylindole-7-carboxylic acid?
2,3,5-trimethyl-1-propylindole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-propylindole-7-carboxylic acid is sourced from PubChem (CID 83964415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).