(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate

C15H16N4O4 — CID 10805345

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(/N=N/N2CCCC2)cc1
InChIInChI=1S/C15H16N4O4/c20-13-7-8-14(21)19(13)23-15(22)11-3-5-12(6-4-11)16-17-18-9-1-2-10-18/h3-6H,1-2,7-10H2/b17-16+
InChIKeyJVHDUIRIHXZBNJ-WUKNDPDISA-N
MW316.32 g/mol
LogP2.00
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate

(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate (PubChem CID 10805345) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
PubChem CID10805345
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(/N=N/N2CCCC2)cc1
InChIInChI=1S/C15H16N4O4/c20-13-7-8-14(21)19(13)23-15(22)11-3-5-12(6-4-11)16-17-18-9-1-2-10-18/h3-6H,1-2,7-10H2/b17-16+
InChIKeyJVHDUIRIHXZBNJ-WUKNDPDISA-N
XLogP2.00
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
4-(piperidin-1-yldiazenyl)benzoic acid
CID 799929
potassium 4-(piperidin-1-yldiazenyl)benzoate
CID 23669602
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
CID 170372063
(2,5-dioxopyrrolidin-1-yl) 4-[[4-[10-(2-methylprop-2-enoyloxy)decoxy]phenyl]diazenyl]benzoate
CID 102039572
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
CID 140580661
(2,5-dioxopyrrolidin-1-yl) 4-(cyanoamino)benzoate
CID 89373287
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
CID 162228108

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate (CID 10805345) is (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate is O=C(ON1C(=O)CCC1=O)c1ccc(/N=N/N2CCCC2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate?
The InChIKey is JVHDUIRIHXZBNJ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N4O4/c20-13-7-8-14(21)19(13)23-15(22)11-3-5-12(6-4-11)16-17-18-9-1-2-10-18/h3-6H,1-2,7-10H2/b17-16+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate has a molecular weight of 316.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate is sourced from PubChem (CID 10805345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).