2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid

C12H15NO2 — CID 115106317

IUPAC2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2ccccc2CC1CC(=O)O
InChIInChI=1S/C12H15NO2/c1-2-13-10(8-12(14)15)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8H2,1H3,(H,14,15)
InChIKeyDHWQZQVBJVMGTB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid

2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 115106317) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
PubChem CID115106317
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2ccccc2CC1CC(=O)O
InChIInChI=1S/C12H15NO2/c1-2-13-10(8-12(14)15)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8H2,1H3,(H,14,15)
InChIKeyDHWQZQVBJVMGTB-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

2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920
2-[1-[(3,5-dimethoxy-1,2-thiazol-4-yl)methyl]-2,3-dihydroindol-2-yl]acetic acid
CID 167753169
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid
CID 71160362
2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid
CID 166287715
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid (CID 115106317) is 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid is CCN1c2ccccc2CC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is DHWQZQVBJVMGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-13-10(8-12(14)15)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid?
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic 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 2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 115106317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).