(2-ethoxy-2-oxoethyl)azaniumylideneazanide

C4H8N2O2 — CID 15833082

IUPAC(2-ethoxy-2-oxoethyl)azaniumylideneazanide
SMILESCCOC(=O)C[NH+]=[N-]
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h6H,2-3H2,1H3
InChIKeyQRDQPBBKLKYHMF-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.35
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)azaniumylideneazanide

(2-ethoxy-2-oxoethyl)azaniumylideneazanide (PubChem CID 15833082) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)azaniumylideneazanide.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)azaniumylideneazanide
PubChem CID15833082
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(2-ethoxy-2-oxoethyl)azaniumylideneazanide
SMILESCCOC(=O)C[NH+]=[N-]
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h6H,2-3H2,1H3
InChIKeyQRDQPBBKLKYHMF-UHFFFAOYSA-N
XLogP-1.35
TPSA62.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)azaniumylideneazanide?
The IUPAC name of (2-ethoxy-2-oxoethyl)azaniumylideneazanide (CID 15833082) is (2-ethoxy-2-oxoethyl)azaniumylideneazanide.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)azaniumylideneazanide?
The canonical SMILES for (2-ethoxy-2-oxoethyl)azaniumylideneazanide is CCOC(=O)C[NH+]=[N-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)azaniumylideneazanide?
The InChIKey is QRDQPBBKLKYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h6H,2-3H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl)azaniumylideneazanide?
(2-ethoxy-2-oxoethyl)azaniumylideneazanide has a molecular weight of 116.12 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)azaniumylideneazanide is sourced from PubChem (CID 15833082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).