[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate

C13H15NO3 — CID 9390506

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-9-7-11-5-3-4-6-12(11)14(9)13(16)8-17-10(2)15/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyFIDTYXMIZQIMMR-VIFPVBQESA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds2

About [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate (PubChem CID 9390506) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
PubChem CID9390506
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-9-7-11-5-3-4-6-12(11)14(9)13(16)8-17-10(2)15/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyFIDTYXMIZQIMMR-VIFPVBQESA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078937
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-bromobenzoate
CID 2429819
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170450
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544547
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate (CID 9390506) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate?
The InChIKey is FIDTYXMIZQIMMR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-7-11-5-3-4-6-12(11)14(9)13(16)8-17-10(2)15/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate has a molecular weight of 233.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 9390506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).