ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate

C13H19NO2 — CID 58564131

IUPACethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc2c1CCCC2
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-14-10(2)8-11-6-4-5-7-12(11)14/h8H,3-7,9H2,1-2H3
InChIKeyJGMXEWKETVLCCJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds3

About ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate

ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate (PubChem CID 58564131) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate
PubChem CID58564131
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc2c1CCCC2
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-14-10(2)8-11-6-4-5-7-12(11)14/h8H,3-7,9H2,1-2H3
InChIKeyJGMXEWKETVLCCJ-UHFFFAOYSA-N
XLogP2.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate (CID 58564131) is ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate is CCOC(=O)Cn1c(C)cc2c1CCCC2.
What is the InChIKey of ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate?
The InChIKey is JGMXEWKETVLCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13(15)9-14-10(2)8-11-6-4-5-7-12(11)14/h8H,3-7,9H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate?
ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate is sourced from PubChem (CID 58564131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).