2-(2,3-dihydroindol-1-yl)acetate

C10H10NO2- — CID 6935608

IUPAC2-(2,3-dihydroindol-1-yl)acetate
SMILESO=C([O-])CN1CCc2ccccc21
InChIInChI=1S/C10H11NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H,12,13)/p-1
InChIKeyZYKYVZPUUGVMFE-UHFFFAOYSA-M
MW176.20 g/mol
LogP-0.20
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)acetate

2-(2,3-dihydroindol-1-yl)acetate (PubChem CID 6935608) has the molecular formula C10H10NO2- and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)acetate.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)acetate
PubChem CID6935608
Molecular FormulaC10H10NO2-
Molecular Weight176.20 g/mol
Exact Mass176.07
IUPAC Name2-(2,3-dihydroindol-1-yl)acetate
SMILESO=C([O-])CN1CCc2ccccc21
InChIInChI=1S/C10H11NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H,12,13)/p-1
InChIKeyZYKYVZPUUGVMFE-UHFFFAOYSA-M
XLogP-0.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
CID 82041294
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
1-(chloromethyl)-2,3-dihydroindole
CID 59108457

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)acetate?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)acetate (CID 6935608) is 2-(2,3-dihydroindol-1-yl)acetate.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)acetate?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)acetate is O=C([O-])CN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)acetate?
The InChIKey is ZYKYVZPUUGVMFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H,12,13)/p-1.
What are the key properties of 2-(2,3-dihydroindol-1-yl)acetate?
2-(2,3-dihydroindol-1-yl)acetate has a molecular weight of 176.20 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)acetate is sourced from PubChem (CID 6935608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).