bis(ethoxycarbonyl)azaniumylideneazanide

C6H10N2O4 — CID 14357405

IUPACbis(ethoxycarbonyl)azaniumylideneazanide
SMILESCCOC(=O)[N+](=[N-])C(=O)OCC
InChIInChI=1S/C6H10N2O4/c1-3-11-5(9)8(7)6(10)12-4-2/h3-4H2,1-2H3
InChIKeyNBLAIKHFQBOVPV-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.33
Rot. Bonds2

About bis(ethoxycarbonyl)azaniumylideneazanide

bis(ethoxycarbonyl)azaniumylideneazanide (PubChem CID 14357405) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is bis(ethoxycarbonyl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(ethoxycarbonyl)azaniumylideneazanide
PubChem CID14357405
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Namebis(ethoxycarbonyl)azaniumylideneazanide
SMILESCCOC(=O)[N+](=[N-])C(=O)OCC
InChIInChI=1S/C6H10N2O4/c1-3-11-5(9)8(7)6(10)12-4-2/h3-4H2,1-2H3
InChIKeyNBLAIKHFQBOVPV-UHFFFAOYSA-N
XLogP1.33
TPSA77.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethoxycarbonyl)azaniumylideneazanide?
The IUPAC name of bis(ethoxycarbonyl)azaniumylideneazanide (CID 14357405) is bis(ethoxycarbonyl)azaniumylideneazanide.
What is the SMILES notation for bis(ethoxycarbonyl)azaniumylideneazanide?
The canonical SMILES for bis(ethoxycarbonyl)azaniumylideneazanide is CCOC(=O)[N+](=[N-])C(=O)OCC.
What is the InChIKey of bis(ethoxycarbonyl)azaniumylideneazanide?
The InChIKey is NBLAIKHFQBOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-3-11-5(9)8(7)6(10)12-4-2/h3-4H2,1-2H3.
What are the key properties of bis(ethoxycarbonyl)azaniumylideneazanide?
bis(ethoxycarbonyl)azaniumylideneazanide has a molecular weight of 174.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxycarbonyl)azaniumylideneazanide is sourced from PubChem (CID 14357405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).