ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate

C11H17NO3 — CID 145068804

IUPACethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCC.CCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C9H11NO3.C2H6/c1-2-13-9(12)7-10-5-3-8(11)4-6-10;1-2/h3-6H,2,7H2,1H3;1-2H3
InChIKeyPIPYBBMWCMGGOC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.44
Rot. Bonds3

About ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate

ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate (PubChem CID 145068804) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
PubChem CID145068804
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCC.CCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C9H11NO3.C2H6/c1-2-13-9(12)7-10-5-3-8(11)4-6-10;1-2/h3-6H,2,7H2,1H3;1-2H3
InChIKeyPIPYBBMWCMGGOC-UHFFFAOYSA-N
XLogP1.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate?
The IUPAC name of ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate (CID 145068804) is ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate is CC.CCOC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate?
The InChIKey is PIPYBBMWCMGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C2H6/c1-2-13-9(12)7-10-5-3-8(11)4-6-10;1-2/h3-6H,2,7H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate?
ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate has a molecular weight of 211.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 145068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).