(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate

C6H11N2O4- — CID 135020273

IUPAC(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate
SMILESCCOC(=O)N/N=C(\[O-])OCC
InChIInChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)/p-1
InChIKeyJXMLAPZRDDWRRV-UHFFFAOYSA-M
MW175.16 g/mol
LogP-0.60
Rot. Bonds3

About (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate

(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate (PubChem CID 135020273) has the molecular formula C6H11N2O4- and a molecular weight of 175.16 g/mol. Its IUPAC name is (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate.

Molecular Properties

Compound Name(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate
PubChem CID135020273
Molecular FormulaC6H11N2O4-
Molecular Weight175.16 g/mol
Exact Mass175.07
IUPAC Name(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate
SMILESCCOC(=O)N/N=C(\[O-])OCC
InChIInChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)/p-1
InChIKeyJXMLAPZRDDWRRV-UHFFFAOYSA-M
XLogP-0.60
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate?
The IUPAC name of (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate (CID 135020273) is (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate.
What is the SMILES notation for (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate?
The canonical SMILES for (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate is CCOC(=O)N/N=C(\[O-])OCC.
What is the InChIKey of (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate?
The InChIKey is JXMLAPZRDDWRRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)/p-1.
What are the key properties of (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate?
(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate has a molecular weight of 175.16 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate is sourced from PubChem (CID 135020273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).