1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone

C13H22N2O2 — CID 70672434

IUPAC1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone
SMILESCCC1=CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h3H,2,4-11H2,1H3
InChIKeyAGYHQHOBDXGKTJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds3

About 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone

1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone (PubChem CID 70672434) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone
PubChem CID70672434
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone
SMILESCCC1=CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h3H,2,4-11H2,1H3
InChIKeyAGYHQHOBDXGKTJ-UHFFFAOYSA-N
XLogP0.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone (CID 70672434) is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone is CCC1=CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone?
The InChIKey is AGYHQHOBDXGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h3H,2,4-11H2,1H3.
What are the key properties of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone?
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone has a molecular weight of 238.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 70672434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).