1-acetyl-2,3-dihydroindole-6-carboxylic acid

C11H11NO3 — CID 82609550

IUPAC1-acetyl-2,3-dihydroindole-6-carboxylic acid
SMILESCC(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H11NO3/c1-7(13)12-5-4-8-2-3-9(11(14)15)6-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyHMLMYLSMTITKTB-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.29
Rot. Bonds1

About 1-acetyl-2,3-dihydroindole-6-carboxylic acid

1-acetyl-2,3-dihydroindole-6-carboxylic acid (PubChem CID 82609550) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-2,3-dihydroindole-6-carboxylic acid
PubChem CID82609550
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-acetyl-2,3-dihydroindole-6-carboxylic acid
SMILESCC(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C11H11NO3/c1-7(13)12-5-4-8-2-3-9(11(14)15)6-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyHMLMYLSMTITKTB-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014605
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014603
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
CID 132598085
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
CID 82341570

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-acetyl-2,3-dihydroindole-6-carboxylic acid (CID 82609550) is 1-acetyl-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-acetyl-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-acetyl-2,3-dihydroindole-6-carboxylic acid is CC(=O)N1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-acetyl-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is HMLMYLSMTITKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)12-5-4-8-2-3-9(11(14)15)6-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-acetyl-2,3-dihydroindole-6-carboxylic acid?
1-acetyl-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 82609550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).