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

C16H20N2O4 — CID 3127892

IUPAC4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1
InChIInChI=1S/C16H20N2O4/c19-12(17-5-7-22-8-6-17)3-4-18-15(20)13-10-1-2-11(9-10)14(13)16(18)21/h1-2,10-11,13-14H,3-9H2
InChIKeyHZMIKCURQSACFK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.04
Rot. Bonds3

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

4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 3127892) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID3127892
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1
InChIInChI=1S/C16H20N2O4/c19-12(17-5-7-22-8-6-17)3-4-18-15(20)13-10-1-2-11(9-10)14(13)16(18)21/h1-2,10-11,13-14H,3-9H2
InChIKeyHZMIKCURQSACFK-UHFFFAOYSA-N
XLogP0.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.04
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-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 3127892) is 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is HZMIKCURQSACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-12(17-5-7-22-8-6-17)3-4-18-15(20)13-10-1-2-11(9-10)14(13)16(18)21/h1-2,10-11,13-14H,3-9H2.
What are the key properties of 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 304.35 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 3127892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).