bis(2-nitroprop-2-enoxy)-oxoazanium

C6H8N3O7+ — CID 88731959

IUPACbis(2-nitroprop-2-enoxy)-oxoazanium
SMILESC=C(CO[N+](=O)OCC(=C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C6H8N3O7/c1-5(7(10)11)3-15-9(14)16-4-6(2)8(12)13/h1-4H2/q+1
InChIKeySMWGHUXWKVLXBL-UHFFFAOYSA-N
MW234.14 g/mol
LogP0.21
Rot. Bonds8

About bis(2-nitroprop-2-enoxy)-oxoazanium

bis(2-nitroprop-2-enoxy)-oxoazanium (PubChem CID 88731959) has the molecular formula C6H8N3O7+ and a molecular weight of 234.14 g/mol. Its IUPAC name is bis(2-nitroprop-2-enoxy)-oxoazanium.

Molecular Properties

Compound Namebis(2-nitroprop-2-enoxy)-oxoazanium
PubChem CID88731959
Molecular FormulaC6H8N3O7+
Molecular Weight234.14 g/mol
Exact Mass234.04
IUPAC Namebis(2-nitroprop-2-enoxy)-oxoazanium
SMILESC=C(CO[N+](=O)OCC(=C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C6H8N3O7/c1-5(7(10)11)3-15-9(14)16-4-6(2)8(12)13/h1-4H2/q+1
InChIKeySMWGHUXWKVLXBL-UHFFFAOYSA-N
XLogP0.21
TPSA124.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 bis(2-nitroprop-2-enoxy)-oxoazanium?
The IUPAC name of bis(2-nitroprop-2-enoxy)-oxoazanium (CID 88731959) is bis(2-nitroprop-2-enoxy)-oxoazanium.
What is the SMILES notation for bis(2-nitroprop-2-enoxy)-oxoazanium?
The canonical SMILES for bis(2-nitroprop-2-enoxy)-oxoazanium is C=C(CO[N+](=O)OCC(=C)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of bis(2-nitroprop-2-enoxy)-oxoazanium?
The InChIKey is SMWGHUXWKVLXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O7/c1-5(7(10)11)3-15-9(14)16-4-6(2)8(12)13/h1-4H2/q+1.
What are the key properties of bis(2-nitroprop-2-enoxy)-oxoazanium?
bis(2-nitroprop-2-enoxy)-oxoazanium has a molecular weight of 234.14 g/mol, XLogP of 0.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-nitroprop-2-enoxy)-oxoazanium is sourced from PubChem (CID 88731959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).