1-propyl-2,3-dihydroindole-2-carboxylic acid

C12H15NO2 — CID 80566723

IUPAC1-propyl-2,3-dihydroindole-2-carboxylic acid
SMILESCCCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H15NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyWISSKBRDPZEYOD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About 1-propyl-2,3-dihydroindole-2-carboxylic acid

1-propyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566723) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-propyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-propyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566723
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-propyl-2,3-dihydroindole-2-carboxylic acid
SMILESCCCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H15NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyWISSKBRDPZEYOD-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566995
(2S)-1-[(4R)-5-ethoxy-2,4-dimethyl-5-oxopentyl]-2,3-dihydroindole-2-carboxylic acid
CID 70387717
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-propyl-2,3-dihydroindole-2-carboxylic acid (CID 80566723) is 1-propyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-propyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-propyl-2,3-dihydroindole-2-carboxylic acid is CCCN1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-propyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is WISSKBRDPZEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 1-propyl-2,3-dihydroindole-2-carboxylic acid?
1-propyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).