(E)-2,3-dicyanobut-2-enedihydrazide

C6H6N6O2 — CID 87559469

IUPAC(E)-2,3-dicyanobut-2-enedihydrazide
SMILESN#C/C(C(=O)NN)=C(/C#N)C(=O)NN
InChIInChI=1S/C6H6N6O2/c7-1-3(5(13)11-9)4(2-8)6(14)12-10/h9-10H2,(H,11,13)(H,12,14)/b4-3+
InChIKeyYXKUXBDSCNRUNM-ONEGZZNKSA-N
MW194.15 g/mol
LogP-2.69
Rot. Bonds2

About (E)-2,3-dicyanobut-2-enedihydrazide

(E)-2,3-dicyanobut-2-enedihydrazide (PubChem CID 87559469) has the molecular formula C6H6N6O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is (E)-2,3-dicyanobut-2-enedihydrazide.

Molecular Properties

Compound Name(E)-2,3-dicyanobut-2-enedihydrazide
PubChem CID87559469
Molecular FormulaC6H6N6O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name(E)-2,3-dicyanobut-2-enedihydrazide
SMILESN#C/C(C(=O)NN)=C(/C#N)C(=O)NN
InChIInChI=1S/C6H6N6O2/c7-1-3(5(13)11-9)4(2-8)6(14)12-10/h9-10H2,(H,11,13)(H,12,14)/b4-3+
InChIKeyYXKUXBDSCNRUNM-ONEGZZNKSA-N
XLogP-2.69
TPSA157.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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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Related Compounds

2-cyanoprop-2-enehydrazide
CID 87129507
methyl (E)-3-amino-2-cyano-3-iodoprop-2-enoate
CID 5325210
(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
CID 6266505
2-sulfanylidenepropanehydrazide
CID 175361309
(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6523367
(2E)-2-[amino(methylsulfanyl)methylidene]-3-oxobutanenitrile
CID 2777066
(Z)-2-(2,2-dimethylpropanoyl)-3-hydroxy-4,4-dimethylpent-2-enenitrile
CID 15554300
methyl 4-amino-2-cyano-3-methylpent-2-enoate
CID 173446909
N-(aziridin-1-yl)-2-cyano-3-hydroxybut-2-enamide
CID 173354686
2-(cyanomethylsulfanyl)acetohydrazide
CID 43348499
2,3-dicyanobut-2-enoic acid
CID 172783175
2-formylprop-2-enehydrazide
CID 22179166

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dicyanobut-2-enedihydrazide?
The IUPAC name of (E)-2,3-dicyanobut-2-enedihydrazide (CID 87559469) is (E)-2,3-dicyanobut-2-enedihydrazide.
What is the SMILES notation for (E)-2,3-dicyanobut-2-enedihydrazide?
The canonical SMILES for (E)-2,3-dicyanobut-2-enedihydrazide is N#C/C(C(=O)NN)=C(/C#N)C(=O)NN.
What is the InChIKey of (E)-2,3-dicyanobut-2-enedihydrazide?
The InChIKey is YXKUXBDSCNRUNM-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6N6O2/c7-1-3(5(13)11-9)4(2-8)6(14)12-10/h9-10H2,(H,11,13)(H,12,14)/b4-3+.
What are the key properties of (E)-2,3-dicyanobut-2-enedihydrazide?
(E)-2,3-dicyanobut-2-enedihydrazide has a molecular weight of 194.15 g/mol, XLogP of -2.69, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dicyanobut-2-enedihydrazide is sourced from PubChem (CID 87559469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).