1-propan-2-yl-3-propylindole-7-carboxylic acid

C15H19NO2 — CID 83945413

IUPAC1-propan-2-yl-3-propylindole-7-carboxylic acid
SMILESCCCc1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-4-6-11-9-16(10(2)3)14-12(11)7-5-8-13(14)15(17)18/h5,7-10H,4,6H2,1-3H3,(H,17,18)
InChIKeyGNXUHIWUATXDTL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.87
Rot. Bonds4

About 1-propan-2-yl-3-propylindole-7-carboxylic acid

1-propan-2-yl-3-propylindole-7-carboxylic acid (PubChem CID 83945413) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-propylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-3-propylindole-7-carboxylic acid
PubChem CID83945413
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-propan-2-yl-3-propylindole-7-carboxylic acid
SMILESCCCc1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-4-6-11-9-16(10(2)3)14-12(11)7-5-8-13(14)15(17)18/h5,7-10H,4,6H2,1-3H3,(H,17,18)
InChIKeyGNXUHIWUATXDTL-UHFFFAOYSA-N
XLogP3.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
7-methyl-1-propan-2-yl-3-propylindole-5-carboxylic acid
CID 83945974
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608
3-butyl-1,5-di(propan-2-yl)indole-7-carboxylic acid
CID 83946264
1-methyl-3-(propan-2-ylsulfonylmethyl)indole-7-carboxylic acid
CID 117182128
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-ethyl-3-(sulfanylmethyl)indole-7-carboxylic acid
CID 117182667

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propylindole-7-carboxylic acid?
The IUPAC name of 1-propan-2-yl-3-propylindole-7-carboxylic acid (CID 83945413) is 1-propan-2-yl-3-propylindole-7-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-3-propylindole-7-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-3-propylindole-7-carboxylic acid is CCCc1cn(C(C)C)c2c(C(=O)O)cccc12.
What is the InChIKey of 1-propan-2-yl-3-propylindole-7-carboxylic acid?
The InChIKey is GNXUHIWUATXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-6-11-9-16(10(2)3)14-12(11)7-5-8-13(14)15(17)18/h5,7-10H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 1-propan-2-yl-3-propylindole-7-carboxylic acid?
1-propan-2-yl-3-propylindole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propylindole-7-carboxylic acid is sourced from PubChem (CID 83945413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).