4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C15H18N2O4 — CID 4737189

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-11(16-3-5-21-6-4-16)8-17-14(19)12-9-1-2-10(7-9)13(12)15(17)20/h1-2,9-10,12-13H,3-8H2
InChIKeyDMXRRRMQOKATHK-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.35
Rot. Bonds2

About 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 4737189) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID4737189
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-11(16-3-5-21-6-4-16)8-17-14(19)12-9-1-2-10(7-9)13(12)15(17)20/h1-2,9-10,12-13H,3-8H2
InChIKeyDMXRRRMQOKATHK-UHFFFAOYSA-N
XLogP-0.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
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-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 4737189) is 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is DMXRRRMQOKATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11(16-3-5-21-6-4-16)8-17-14(19)12-9-1-2-10(7-9)13(12)15(17)20/h1-2,9-10,12-13H,3-8H2.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 290.32 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 4737189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).