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

C11H11NO3 — CID 10058771

IUPAC1-acetyl-2,3-dihydroindole-2-carboxylic acid
SMILESCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyOGMIMMRKTFZDKW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.05
Rot. Bonds1

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

1-acetyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 10058771) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID10058771
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-acetyl-2,3-dihydroindole-2-carboxylic acid
SMILESCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyOGMIMMRKTFZDKW-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-acetyl-2,3-dihydroindole-2-carboxylic acid (CID 10058771) is 1-acetyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-acetyl-2,3-dihydroindole-2-carboxylic acid is CC(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-acetyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is OGMIMMRKTFZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15).
What are the key properties of 1-acetyl-2,3-dihydroindole-2-carboxylic acid?
1-acetyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.05, 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-2-carboxylic acid is sourced from PubChem (CID 10058771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).