[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate

C6H8N2O6 — CID 90133686

IUPAC[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate
SMILESO=C(CO[N+](=O)[O-])NC1CCOC1=O
InChIInChI=1S/C6H8N2O6/c9-5(3-14-8(11)12)7-4-1-2-13-6(4)10/h4H,1-3H2,(H,7,9)
InChIKeyGAWXFJNXAQDDQH-UHFFFAOYSA-N
MW204.14 g/mol
LogP-1.37
Rot. Bonds4

About [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate

[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate (PubChem CID 90133686) has the molecular formula C6H8N2O6 and a molecular weight of 204.14 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate
PubChem CID90133686
Molecular FormulaC6H8N2O6
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Name[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate
SMILESO=C(CO[N+](=O)[O-])NC1CCOC1=O
InChIInChI=1S/C6H8N2O6/c9-5(3-14-8(11)12)7-4-1-2-13-6(4)10/h4H,1-3H2,(H,7,9)
InChIKeyGAWXFJNXAQDDQH-UHFFFAOYSA-N
XLogP-1.37
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate?
The IUPAC name of [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate (CID 90133686) is [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate.
What is the SMILES notation for [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate?
The canonical SMILES for [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate is O=C(CO[N+](=O)[O-])NC1CCOC1=O.
What is the InChIKey of [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate?
The InChIKey is GAWXFJNXAQDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6/c9-5(3-14-8(11)12)7-4-1-2-13-6(4)10/h4H,1-3H2,(H,7,9).
What are the key properties of [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate?
[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate has a molecular weight of 204.14 g/mol, XLogP of -1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate is sourced from PubChem (CID 90133686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).