(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide

C5H8N4O2 — CID 143797461

IUPAC(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide
SMILES[H]/N=C/C(=C\C(N)=O)C(=O)NN
InChIInChI=1S/C5H8N4O2/c6-2-3(1-4(7)10)5(11)9-8/h1-2,6H,8H2,(H2,7,10)(H,9,11)/b3-1+,6-2+
InChIKeyBAXPXLAURHVGBW-DHWRHDBVSA-N
MW156.15 g/mol
LogP-1.96
Rot. Bonds3

About (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide

(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide (PubChem CID 143797461) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide
PubChem CID143797461
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide
SMILES[H]/N=C/C(=C\C(N)=O)C(=O)NN
InChIInChI=1S/C5H8N4O2/c6-2-3(1-4(7)10)5(11)9-8/h1-2,6H,8H2,(H2,7,10)(H,9,11)/b3-1+,6-2+
InChIKeyBAXPXLAURHVGBW-DHWRHDBVSA-N
XLogP-1.96
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide?
The IUPAC name of (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide (CID 143797461) is (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide?
The canonical SMILES for (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide is [H]/N=C/C(=C\C(N)=O)C(=O)NN.
What is the InChIKey of (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide?
The InChIKey is BAXPXLAURHVGBW-DHWRHDBVSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-2-3(1-4(7)10)5(11)9-8/h1-2,6H,8H2,(H2,7,10)(H,9,11)/b3-1+,6-2+.
What are the key properties of (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide?
(E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide has a molecular weight of 156.15 g/mol, XLogP of -1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydrazinyl-3-methanimidoyl-4-oxobut-2-enamide is sourced from PubChem (CID 143797461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).