dimethyl (E)-2-hydrazinylbut-2-enedioate

C6H10N2O4 — CID 55298578

IUPACdimethyl (E)-2-hydrazinylbut-2-enedioate
SMILESCOC(=O)/C=C(/NN)C(=O)OC
InChIInChI=1S/C6H10N2O4/c1-11-5(9)3-4(8-7)6(10)12-2/h3,8H,7H2,1-2H3/b4-3+
InChIKeyUDDJOAVMTYCKTD-ONEGZZNKSA-N
MW174.16 g/mol
LogP-1.32
Rot. Bonds3

About dimethyl (E)-2-hydrazinylbut-2-enedioate

dimethyl (E)-2-hydrazinylbut-2-enedioate (PubChem CID 55298578) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is dimethyl (E)-2-hydrazinylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-hydrazinylbut-2-enedioate
PubChem CID55298578
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Namedimethyl (E)-2-hydrazinylbut-2-enedioate
SMILESCOC(=O)/C=C(/NN)C(=O)OC
InChIInChI=1S/C6H10N2O4/c1-11-5(9)3-4(8-7)6(10)12-2/h3,8H,7H2,1-2H3/b4-3+
InChIKeyUDDJOAVMTYCKTD-ONEGZZNKSA-N
XLogP-1.32
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 dimethyl (E)-2-hydrazinylbut-2-enedioate?
The IUPAC name of dimethyl (E)-2-hydrazinylbut-2-enedioate (CID 55298578) is dimethyl (E)-2-hydrazinylbut-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-hydrazinylbut-2-enedioate?
The canonical SMILES for dimethyl (E)-2-hydrazinylbut-2-enedioate is COC(=O)/C=C(/NN)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-hydrazinylbut-2-enedioate?
The InChIKey is UDDJOAVMTYCKTD-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-11-5(9)3-4(8-7)6(10)12-2/h3,8H,7H2,1-2H3/b4-3+.
What are the key properties of dimethyl (E)-2-hydrazinylbut-2-enedioate?
dimethyl (E)-2-hydrazinylbut-2-enedioate has a molecular weight of 174.16 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-hydrazinylbut-2-enedioate is sourced from PubChem (CID 55298578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).