2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate

C7H8N4O4 — CID 134472977

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate
SMILES[N-]=[N+]=NC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C7H8N4O4/c8-10-9-7(14)15-4-3-11-5(12)1-2-6(11)13/h1-4H2
InChIKeyIQZBXEDQKOHZOY-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.58
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate

2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate (PubChem CID 134472977) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate
PubChem CID134472977
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate
SMILES[N-]=[N+]=NC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C7H8N4O4/c8-10-9-7(14)15-4-3-11-5(12)1-2-6(11)13/h1-4H2
InChIKeyIQZBXEDQKOHZOY-UHFFFAOYSA-N
XLogP0.58
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-Succinimidopropyl]-2-oxazolidinone
CID 544799
3-(3-Azidobutanoyl)-1,3-oxazolidin-2-one
CID 11106314
4-Oxo-4-(2-oxo-oxazolidin-3-yl)-butyraldehyde
CID 10607265
2-(Dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
CID 21392396
2-(Diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
CID 21392399
3-(5-Azidopentanoyl)-1,3-oxazolidin-2-one
CID 53651264
Trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium
CID 70634349
2-(2,5-Dioxopyrrolidin-1-yl)ethyl formate
CID 88688678
2-(2,5-Dioxopyrrolidin-1-yl)ethyl carbamate
CID 141210825
1-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 168071085
Sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate
CID 172567190
1,4-Bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione
CID 10801032

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate (CID 134472977) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate is [N-]=[N+]=NC(=O)OCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate?
The InChIKey is IQZBXEDQKOHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c8-10-9-7(14)15-4-3-11-5(12)1-2-6(11)13/h1-4H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate has a molecular weight of 212.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl N-diazocarbamate is sourced from PubChem (CID 134472977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).