4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C15H20N2O3 — CID 2925933

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c18-11(16-5-1-2-6-16)8-17-14(19)12-9-3-4-10(7-9)13(12)15(17)20/h9-10,12-13H,1-8H2
InChIKeyOAEWNMZGCXRUSP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 2925933) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID2925933
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c18-11(16-5-1-2-6-16)8-17-14(19)12-9-3-4-10(7-9)13(12)15(17)20/h9-10,12-13H,1-8H2
InChIKeyOAEWNMZGCXRUSP-UHFFFAOYSA-N
XLogP0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 2925933) is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)N1CCCC1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is OAEWNMZGCXRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-11(16-5-1-2-6-16)8-17-14(19)12-9-3-4-10(7-9)13(12)15(17)20/h9-10,12-13H,1-8H2.
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 2925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).