ethyl (1E)-ethanehydrazonate

C4H10N2O — CID 57432796

IUPACethyl (1E)-ethanehydrazonate
SMILESCCO/C(C)=N/N
InChIInChI=1S/C4H10N2O/c1-3-7-4(2)6-5/h3,5H2,1-2H3/b6-4+
InChIKeyNXDSRYPRIRPYAK-GQCTYLIASA-N
MW102.14 g/mol
LogP0.31
Rot. Bonds1

About ethyl (1E)-ethanehydrazonate

ethyl (1E)-ethanehydrazonate (PubChem CID 57432796) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is ethyl (1E)-ethanehydrazonate.

Molecular Properties

Compound Nameethyl (1E)-ethanehydrazonate
PubChem CID57432796
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Nameethyl (1E)-ethanehydrazonate
SMILESCCO/C(C)=N/N
InChIInChI=1S/C4H10N2O/c1-3-7-4(2)6-5/h3,5H2,1-2H3/b6-4+
InChIKeyNXDSRYPRIRPYAK-GQCTYLIASA-N
XLogP0.31
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

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Related Compounds

ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
ethyl N-acetylethanimidate
CID 10011919
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
CID 134986578
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
ethyl N-dihydroxyphosphinothioyloxyethanimidate
CID 88700961
ethyl N-(methylcarbamoyl)ethanimidate
CID 71371066

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-ethanehydrazonate?
The IUPAC name of ethyl (1E)-ethanehydrazonate (CID 57432796) is ethyl (1E)-ethanehydrazonate.
What is the SMILES notation for ethyl (1E)-ethanehydrazonate?
The canonical SMILES for ethyl (1E)-ethanehydrazonate is CCO/C(C)=N/N.
What is the InChIKey of ethyl (1E)-ethanehydrazonate?
The InChIKey is NXDSRYPRIRPYAK-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10N2O/c1-3-7-4(2)6-5/h3,5H2,1-2H3/b6-4+.
What are the key properties of ethyl (1E)-ethanehydrazonate?
ethyl (1E)-ethanehydrazonate has a molecular weight of 102.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-ethanehydrazonate is sourced from PubChem (CID 57432796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).