ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate

C13H17NO2 — CID 10822751

IUPACethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCCOC(=O)CC1CCc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14H,2,7-9H2,1H3
InChIKeyIYOKFCOGEPFIKG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate

ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate (PubChem CID 10822751) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
PubChem CID10822751
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCCOC(=O)CC1CCc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14H,2,7-9H2,1H3
InChIKeyIYOKFCOGEPFIKG-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The IUPAC name of ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate (CID 10822751) is ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate is CCOC(=O)CC1CCc2ccccc2N1.
What is the InChIKey of ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The InChIKey is IYOKFCOGEPFIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate is sourced from PubChem (CID 10822751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).