ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate

C20H23NO4 — CID 167026191

IUPACethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)C2=CCCC=C2c2ncccc21
InChIInChI=1S/C20H23NO4/c1-3-24-17(22)12-20(13-18(23)25-4-2)15-9-6-5-8-14(15)19-16(20)10-7-11-21-19/h7-11H,3-6,12-13H2,1-2H3
InChIKeySZPSVWPCUOPXRA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate

ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate (PubChem CID 167026191) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate
PubChem CID167026191
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)C2=CCCC=C2c2ncccc21
InChIInChI=1S/C20H23NO4/c1-3-24-17(22)12-20(13-18(23)25-4-2)15-9-6-5-8-14(15)19-16(20)10-7-11-21-19/h7-11H,3-6,12-13H2,1-2H3
InChIKeySZPSVWPCUOPXRA-UHFFFAOYSA-N
XLogP3.34
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate (CID 167026191) is ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate is CCOC(=O)CC1(CC(=O)OCC)C2=CCCC=C2c2ncccc21.
What is the InChIKey of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate?
The InChIKey is SZPSVWPCUOPXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-24-17(22)12-20(13-18(23)25-4-2)15-9-6-5-8-14(15)19-16(20)10-7-11-21-19/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate?
ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate has a molecular weight of 341.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate is sourced from PubChem (CID 167026191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).