ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate

C12H15NO2 — CID 134547542

IUPACethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate
SMILESCCOC(=O)CC1=CC2CC=CC=C2N1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)8-10-7-9-5-3-4-6-11(9)13-10/h3-4,6-7,9,13H,2,5,8H2,1H3
InChIKeyTWZHPVGBVFETRA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.89
Rot. Bonds3

About ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate

ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate (PubChem CID 134547542) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate
PubChem CID134547542
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate
SMILESCCOC(=O)CC1=CC2CC=CC=C2N1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)8-10-7-9-5-3-4-6-11(9)13-10/h3-4,6-7,9,13H,2,5,8H2,1H3
InChIKeyTWZHPVGBVFETRA-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate?
The IUPAC name of ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate (CID 134547542) is ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate is CCOC(=O)CC1=CC2CC=CC=C2N1.
What is the InChIKey of ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate?
The InChIKey is TWZHPVGBVFETRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)8-10-7-9-5-3-4-6-11(9)13-10/h3-4,6-7,9,13H,2,5,8H2,1H3.
What are the key properties of ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate?
ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3a,4-dihydro-1H-indol-2-yl)acetate is sourced from PubChem (CID 134547542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).