ethane;ethyl (1E)-N-methylideneethanehydrazonate

C9H22N2O — CID 172987111

IUPACethane;ethyl (1E)-N-methylideneethanehydrazonate
SMILESC=N/N=C(\C)OCC.CC.CC
InChIInChI=1S/C5H10N2O.2C2H6/c1-4-8-5(2)7-6-3;2*1-2/h3-4H2,1-2H3;2*1-2H3/b7-5+;;
InChIKeyMWLYIQFRKHLGTO-WVKUUHRJSA-N
MW174.29 g/mol
LogP3.11
Rot. Bonds2

About ethane;ethyl (1E)-N-methylideneethanehydrazonate

ethane;ethyl (1E)-N-methylideneethanehydrazonate (PubChem CID 172987111) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;ethyl (1E)-N-methylideneethanehydrazonate.

Molecular Properties

Compound Nameethane;ethyl (1E)-N-methylideneethanehydrazonate
PubChem CID172987111
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;ethyl (1E)-N-methylideneethanehydrazonate
SMILESC=N/N=C(\C)OCC.CC.CC
InChIInChI=1S/C5H10N2O.2C2H6/c1-4-8-5(2)7-6-3;2*1-2/h3-4H2,1-2H3;2*1-2H3/b7-5+;;
InChIKeyMWLYIQFRKHLGTO-WVKUUHRJSA-N
XLogP3.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;ethyl (1E)-N-methylideneethanehydrazonate?
The IUPAC name of ethane;ethyl (1E)-N-methylideneethanehydrazonate (CID 172987111) is ethane;ethyl (1E)-N-methylideneethanehydrazonate.
What is the SMILES notation for ethane;ethyl (1E)-N-methylideneethanehydrazonate?
The canonical SMILES for ethane;ethyl (1E)-N-methylideneethanehydrazonate is C=N/N=C(\C)OCC.CC.CC.
What is the InChIKey of ethane;ethyl (1E)-N-methylideneethanehydrazonate?
The InChIKey is MWLYIQFRKHLGTO-WVKUUHRJSA-N. The full InChI is InChI=1S/C5H10N2O.2C2H6/c1-4-8-5(2)7-6-3;2*1-2/h3-4H2,1-2H3;2*1-2H3/b7-5+;;.
What are the key properties of ethane;ethyl (1E)-N-methylideneethanehydrazonate?
ethane;ethyl (1E)-N-methylideneethanehydrazonate has a molecular weight of 174.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (1E)-N-methylideneethanehydrazonate is sourced from PubChem (CID 172987111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).