3a,7a-dihydro-1H-indol-3-yl acetate

C10H11NO2 — CID 45091246

IUPAC3a,7a-dihydro-1H-indol-3-yl acetate
SMILESCC(=O)OC1=CNC2C=CC=CC12
InChIInChI=1S/C10H11NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,8-9,11H,1H3
InChIKeyDICBQEWGBMWJME-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.10
Rot. Bonds1

About 3a,7a-dihydro-1H-indol-3-yl acetate

3a,7a-dihydro-1H-indol-3-yl acetate (PubChem CID 45091246) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-indol-3-yl acetate.

Molecular Properties

Compound Name3a,7a-dihydro-1H-indol-3-yl acetate
PubChem CID45091246
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3a,7a-dihydro-1H-indol-3-yl acetate
SMILESCC(=O)OC1=CNC2C=CC=CC12
InChIInChI=1S/C10H11NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,8-9,11H,1H3
InChIKeyDICBQEWGBMWJME-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-indol-3-yl acetate?
The IUPAC name of 3a,7a-dihydro-1H-indol-3-yl acetate (CID 45091246) is 3a,7a-dihydro-1H-indol-3-yl acetate.
What is the SMILES notation for 3a,7a-dihydro-1H-indol-3-yl acetate?
The canonical SMILES for 3a,7a-dihydro-1H-indol-3-yl acetate is CC(=O)OC1=CNC2C=CC=CC12.
What is the InChIKey of 3a,7a-dihydro-1H-indol-3-yl acetate?
The InChIKey is DICBQEWGBMWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,8-9,11H,1H3.
What are the key properties of 3a,7a-dihydro-1H-indol-3-yl acetate?
3a,7a-dihydro-1H-indol-3-yl acetate has a molecular weight of 177.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-indol-3-yl acetate is sourced from PubChem (CID 45091246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).