1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid

C16H23NO2 — CID 114200376

IUPAC1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC(C)CC(C)CN1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H23NO2/c1-11(2)8-12(3)10-17-7-6-13-9-14(16(18)19)4-5-15(13)17/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyPJJPVVRDJYZLCV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds5

About 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid

1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 114200376) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID114200376
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC(C)CC(C)CN1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H23NO2/c1-11(2)8-12(3)10-17-7-6-13-9-14(16(18)19)4-5-15(13)17/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyPJJPVVRDJYZLCV-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid (CID 114200376) is 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid is CC(C)CC(C)CN1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is PJJPVVRDJYZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)8-12(3)10-17-7-6-13-9-14(16(18)19)4-5-15(13)17/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 114200376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).