ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate

C8H16N2O2 — CID 13199093

IUPACethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
SMILESCCO/C(C)=N\N=C(/C)OCC
InChIInChI=1S/C8H16N2O2/c1-5-11-7(3)9-10-8(4)12-6-2/h5-6H2,1-4H3/b9-7-,10-8+
InChIKeyZDTREYUVGALNQN-FKJILZIQSA-N
MW172.23 g/mol
LogP1.81
Rot. Bonds3

About ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate

ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate (PubChem CID 13199093) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate.

Molecular Properties

Compound Nameethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
PubChem CID13199093
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
SMILESCCO/C(C)=N\N=C(/C)OCC
InChIInChI=1S/C8H16N2O2/c1-5-11-7(3)9-10-8(4)12-6-2/h5-6H2,1-4H3/b9-7-,10-8+
InChIKeyZDTREYUVGALNQN-FKJILZIQSA-N
XLogP1.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate
CID 134986372
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
CID 134986578
ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate
CID 13199106
ethyl (NE,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 21856253
ethyl (NZ,1E)-N-(1-ethoxybutylidene)butanehydrazonate
CID 21856254
1-Diazo-1-ethoxyethane
CID 154099379
Ethyl ethanimidate;methyl ethanimidate
CID 158461976
ethane;ethyl (1Z)-ethanehydrazonate
CID 172300738
ethane;ethyl (1E)-N-methylideneethanehydrazonate
CID 172987111
Ethyl N-(1-ethoxyethylidene)ethanehydrazonate
CID 71411772

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate?
The IUPAC name of ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate (CID 13199093) is ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate.
What is the SMILES notation for ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate?
The canonical SMILES for ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate is CCO/C(C)=N\N=C(/C)OCC.
What is the InChIKey of ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate?
The InChIKey is ZDTREYUVGALNQN-FKJILZIQSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-11-7(3)9-10-8(4)12-6-2/h5-6H2,1-4H3/b9-7-,10-8+.
What are the key properties of ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate?
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate has a molecular weight of 172.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate is sourced from PubChem (CID 13199093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).