ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate

C11H17NO3 — CID 20802886

IUPACethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate
SMILESCCOC(=O)CN1CCC=C(C(C)=O)C1
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h5H,3-4,6-8H2,1-2H3
InChIKeyDIXMBSAXSWIFMV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.77
Rot. Bonds4

About ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate

ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate (PubChem CID 20802886) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate
PubChem CID20802886
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate
SMILESCCOC(=O)CN1CCC=C(C(C)=O)C1
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h5H,3-4,6-8H2,1-2H3
InChIKeyDIXMBSAXSWIFMV-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate (CID 20802886) is ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate is CCOC(=O)CN1CCC=C(C(C)=O)C1.
What is the InChIKey of ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate?
The InChIKey is DIXMBSAXSWIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h5H,3-4,6-8H2,1-2H3.
What are the key properties of ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate?
ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate is sourced from PubChem (CID 20802886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).