(2-methoxy-2-oxoethyl)azaniumylideneazanide

C3H6N2O2 — CID 59937171

IUPAC(2-methoxy-2-oxoethyl)azaniumylideneazanide
SMILESCOC(=O)C[NH+]=[N-]
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h5H,2H2,1H3
InChIKeyVJTHGFUWDWKQIV-UHFFFAOYSA-N
MW102.09 g/mol
LogP-1.74
Rot. Bonds2

About (2-methoxy-2-oxoethyl)azaniumylideneazanide

(2-methoxy-2-oxoethyl)azaniumylideneazanide (PubChem CID 59937171) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)azaniumylideneazanide.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)azaniumylideneazanide
PubChem CID59937171
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name(2-methoxy-2-oxoethyl)azaniumylideneazanide
SMILESCOC(=O)C[NH+]=[N-]
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h5H,2H2,1H3
InChIKeyVJTHGFUWDWKQIV-UHFFFAOYSA-N
XLogP-1.74
TPSA62.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.74
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-methoxy-2-oxoethyl)azaniumylideneazanide?
The IUPAC name of (2-methoxy-2-oxoethyl)azaniumylideneazanide (CID 59937171) is (2-methoxy-2-oxoethyl)azaniumylideneazanide.
What is the SMILES notation for (2-methoxy-2-oxoethyl)azaniumylideneazanide?
The canonical SMILES for (2-methoxy-2-oxoethyl)azaniumylideneazanide is COC(=O)C[NH+]=[N-].
What is the InChIKey of (2-methoxy-2-oxoethyl)azaniumylideneazanide?
The InChIKey is VJTHGFUWDWKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h5H,2H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl)azaniumylideneazanide?
(2-methoxy-2-oxoethyl)azaniumylideneazanide has a molecular weight of 102.09 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)azaniumylideneazanide is sourced from PubChem (CID 59937171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).