(2-oxopyrrolidin-1-yl) nitrate

C4H6N2O4 — CID 141114658

IUPAC(2-oxopyrrolidin-1-yl) nitrate
SMILESO=C1CCCN1O[N+](=O)[O-]
InChIInChI=1S/C4H6N2O4/c7-4-2-1-3-5(4)10-6(8)9/h1-3H2
InChIKeyJSIOFHDXPYGSSC-UHFFFAOYSA-N
MW146.10 g/mol
LogP-0.27
Rot. Bonds2

About (2-oxopyrrolidin-1-yl) nitrate

(2-oxopyrrolidin-1-yl) nitrate (PubChem CID 141114658) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) nitrate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) nitrate
PubChem CID141114658
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name(2-oxopyrrolidin-1-yl) nitrate
SMILESO=C1CCCN1O[N+](=O)[O-]
InChIInChI=1S/C4H6N2O4/c7-4-2-1-3-5(4)10-6(8)9/h1-3H2
InChIKeyJSIOFHDXPYGSSC-UHFFFAOYSA-N
XLogP-0.27
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) nitrate?
The IUPAC name of (2-oxopyrrolidin-1-yl) nitrate (CID 141114658) is (2-oxopyrrolidin-1-yl) nitrate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) nitrate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) nitrate is O=C1CCCN1O[N+](=O)[O-].
What is the InChIKey of (2-oxopyrrolidin-1-yl) nitrate?
The InChIKey is JSIOFHDXPYGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c7-4-2-1-3-5(4)10-6(8)9/h1-3H2.
What are the key properties of (2-oxopyrrolidin-1-yl) nitrate?
(2-oxopyrrolidin-1-yl) nitrate has a molecular weight of 146.10 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) nitrate is sourced from PubChem (CID 141114658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).