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

C12H15NO2 — CID 10352912

IUPACmethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCOC(=O)CC1CCc2ccccc2N1
InChIInChI=1S/C12H15NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,10,13H,6-8H2,1H3
InChIKeyHDPKJUKZQOPEOF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds2

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

methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate (PubChem CID 10352912) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
PubChem CID10352912
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCOC(=O)CC1CCc2ccccc2N1
InChIInChI=1S/C12H15NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,10,13H,6-8H2,1H3
InChIKeyHDPKJUKZQOPEOF-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate (CID 10352912) is methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate is COC(=O)CC1CCc2ccccc2N1.
What is the InChIKey of methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The InChIKey is HDPKJUKZQOPEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,10,13H,6-8H2,1H3.
What are the key properties of methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate?
methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate is sourced from PubChem (CID 10352912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).