ethoxy N-ethoxycarbonylmethanehydrazonate

C6H12N2O4 — CID 54301996

IUPACethoxy N-ethoxycarbonylmethanehydrazonate
SMILESCCOOC=NNC(=O)OCC
InChIInChI=1S/C6H12N2O4/c1-3-10-6(9)8-7-5-12-11-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeySEWMRXZSHOOFCU-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.64
Rot. Bonds5

About ethoxy N-ethoxycarbonylmethanehydrazonate

ethoxy N-ethoxycarbonylmethanehydrazonate (PubChem CID 54301996) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is ethoxy N-ethoxycarbonylmethanehydrazonate.

Molecular Properties

Compound Nameethoxy N-ethoxycarbonylmethanehydrazonate
PubChem CID54301996
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameethoxy N-ethoxycarbonylmethanehydrazonate
SMILESCCOOC=NNC(=O)OCC
InChIInChI=1S/C6H12N2O4/c1-3-10-6(9)8-7-5-12-11-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeySEWMRXZSHOOFCU-UHFFFAOYSA-N
XLogP0.64
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy N-ethoxycarbonylmethanehydrazonate?
The IUPAC name of ethoxy N-ethoxycarbonylmethanehydrazonate (CID 54301996) is ethoxy N-ethoxycarbonylmethanehydrazonate.
What is the SMILES notation for ethoxy N-ethoxycarbonylmethanehydrazonate?
The canonical SMILES for ethoxy N-ethoxycarbonylmethanehydrazonate is CCOOC=NNC(=O)OCC.
What is the InChIKey of ethoxy N-ethoxycarbonylmethanehydrazonate?
The InChIKey is SEWMRXZSHOOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-3-10-6(9)8-7-5-12-11-4-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of ethoxy N-ethoxycarbonylmethanehydrazonate?
ethoxy N-ethoxycarbonylmethanehydrazonate has a molecular weight of 176.17 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy N-ethoxycarbonylmethanehydrazonate is sourced from PubChem (CID 54301996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).