2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate

C6H8N2O5 — CID 15341331

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate
SMILESO=C1CCC(=O)N1CCO[N+](=O)[O-]
InChIInChI=1S/C6H8N2O5/c9-5-1-2-6(10)7(5)3-4-13-8(11)12/h1-4H2
InChIKeyUIYBUVIDTLIDAA-UHFFFAOYSA-N
MW188.14 g/mol
LogP-0.66
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate

2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate (PubChem CID 15341331) has the molecular formula C6H8N2O5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate
PubChem CID15341331
Molecular FormulaC6H8N2O5
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate
SMILESO=C1CCC(=O)N1CCO[N+](=O)[O-]
InChIInChI=1S/C6H8N2O5/c9-5-1-2-6(10)7(5)3-4-13-8(11)12/h1-4H2
InChIKeyUIYBUVIDTLIDAA-UHFFFAOYSA-N
XLogP-0.66
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate (CID 15341331) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate is O=C1CCC(=O)N1CCO[N+](=O)[O-].
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate?
The InChIKey is UIYBUVIDTLIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5/c9-5-1-2-6(10)7(5)3-4-13-8(11)12/h1-4H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate has a molecular weight of 188.14 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl nitrate is sourced from PubChem (CID 15341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).