1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione

C10H18N4O2 — CID 164575549

IUPAC1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1N1CCNCCNCC1
InChIInChI=1S/C10H18N4O2/c15-9-1-2-10(16)14(9)13-7-5-11-3-4-12-6-8-13/h11-12H,1-8H2
InChIKeyCZERAZOCUABPOT-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.45
Rot. Bonds1

About 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione

1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione (PubChem CID 164575549) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione
PubChem CID164575549
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1N1CCNCCNCC1
InChIInChI=1S/C10H18N4O2/c15-9-1-2-10(16)14(9)13-7-5-11-3-4-12-6-8-13/h11-12H,1-8H2
InChIKeyCZERAZOCUABPOT-UHFFFAOYSA-N
XLogP-1.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione (CID 164575549) is 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1N1CCNCCNCC1.
What is the InChIKey of 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione?
The InChIKey is CZERAZOCUABPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c15-9-1-2-10(16)14(9)13-7-5-11-3-4-12-6-8-13/h11-12H,1-8H2.
What are the key properties of 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione?
1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7-triazonan-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 164575549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).