4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C18H24N2O4 — CID 2921582

IUPAC4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC(C(=O)N1CCOCC1)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H24N2O4/c1-2-3-13(16(21)19-6-8-24-9-7-19)20-17(22)14-11-4-5-12(10-11)15(14)18(20)23/h4-5,11-15H,2-3,6-10H2,1H3
InChIKeyGFKXIDZSXVVHFV-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.82
Rot. Bonds4

About 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2921582) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2921582
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC(C(=O)N1CCOCC1)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H24N2O4/c1-2-3-13(16(21)19-6-8-24-9-7-19)20-17(22)14-11-4-5-12(10-11)15(14)18(20)23/h4-5,11-15H,2-3,6-10H2,1H3
InChIKeyGFKXIDZSXVVHFV-UHFFFAOYSA-N
XLogP0.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.82
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'}

Analyze 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2921582) is 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CCCC(C(=O)N1CCOCC1)N1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is GFKXIDZSXVVHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-3-13(16(21)19-6-8-24-9-7-19)20-17(22)14-11-4-5-12(10-11)15(14)18(20)23/h4-5,11-15H,2-3,6-10H2,1H3.
What are the key properties of 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 332.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-yl-1-oxopentan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2921582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).