ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate

C18H27NO5 — CID 176996600

IUPACethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate
SMILESCCOC(=O)COCC(C)c1c(C)[nH]c(C2CCC(C)O2)cc1=O
InChIInChI=1S/C18H27NO5/c1-5-23-17(21)10-22-9-11(2)18-13(4)19-14(8-15(18)20)16-7-6-12(3)24-16/h8,11-12,16H,5-7,9-10H2,1-4H3,(H,19,20)
InChIKeyJOCODWDXXWNLSC-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.61
Rot. Bonds7

About ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate

ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate (PubChem CID 176996600) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate
PubChem CID176996600
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate
SMILESCCOC(=O)COCC(C)c1c(C)[nH]c(C2CCC(C)O2)cc1=O
InChIInChI=1S/C18H27NO5/c1-5-23-17(21)10-22-9-11(2)18-13(4)19-14(8-15(18)20)16-7-6-12(3)24-16/h8,11-12,16H,5-7,9-10H2,1-4H3,(H,19,20)
InChIKeyJOCODWDXXWNLSC-UHFFFAOYSA-N
XLogP2.61
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate (CID 176996600) is ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate is CCOC(=O)COCC(C)c1c(C)[nH]c(C2CCC(C)O2)cc1=O.
What is the InChIKey of ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate?
The InChIKey is JOCODWDXXWNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-5-23-17(21)10-22-9-11(2)18-13(4)19-14(8-15(18)20)16-7-6-12(3)24-16/h8,11-12,16H,5-7,9-10H2,1-4H3,(H,19,20).
What are the key properties of ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate?
ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate has a molecular weight of 337.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methyl-6-(5-methyloxolan-2-yl)-4-oxo-1H-pyridin-3-yl]propoxy]acetate is sourced from PubChem (CID 176996600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).