propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

C13H17NO2 — CID 79600080

IUPACpropyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCCCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3
InChIKeyTXCBYRFEABFBMA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.54
Rot. Bonds4

About propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 79600080) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID79600080
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCCCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3
InChIKeyTXCBYRFEABFBMA-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (CID 79600080) is propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is CCCOC(=O)CC1CNc2ccccc21.
What is the InChIKey of propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is TXCBYRFEABFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 79600080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).