4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione

C11H16N2O3 — CID 107489933

IUPAC4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCC1=CCNCC1
InChIInChI=1S/C11H16N2O3/c14-10-7-16-8-11(15)13(10)6-3-9-1-4-12-5-2-9/h1,12H,2-8H2
InChIKeySWRUTKFBDBELDE-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.32
Rot. Bonds3

About 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione

4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione (PubChem CID 107489933) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione
PubChem CID107489933
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCC1=CCNCC1
InChIInChI=1S/C11H16N2O3/c14-10-7-16-8-11(15)13(10)6-3-9-1-4-12-5-2-9/h1,12H,2-8H2
InChIKeySWRUTKFBDBELDE-UHFFFAOYSA-N
XLogP-0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione (CID 107489933) is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCC1=CCNCC1.
What is the InChIKey of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione?
The InChIKey is SWRUTKFBDBELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10-7-16-8-11(15)13(10)6-3-9-1-4-12-5-2-9/h1,12H,2-8H2.
What are the key properties of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione?
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione is sourced from PubChem (CID 107489933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).