2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C10H17NO2 — CID 106316928

IUPAC2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H17NO2/c1-3-13-8-10(12)11-6-4-5-9(2)7-11/h5H,3-4,6-8H2,1-2H3
InChIKeyOVNFZMKRNFDOKW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 106316928) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID106316928
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H17NO2/c1-3-13-8-10(12)11-6-4-5-9(2)7-11/h5H,3-4,6-8H2,1-2H3
InChIKeyOVNFZMKRNFDOKW-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 106316928) is 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CCOCC(=O)N1CCC=C(C)C1.
What is the InChIKey of 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is OVNFZMKRNFDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-8-10(12)11-6-4-5-9(2)7-11/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 106316928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).