(Z)-4-amino-3-hydrazinylbut-3-enal

C4H9N3O — CID 165139977

IUPAC(Z)-4-amino-3-hydrazinylbut-3-enal
SMILESN/C=C(/CC=O)NN
InChIInChI=1S/C4H9N3O/c5-3-4(7-6)1-2-8/h2-3,7H,1,5-6H2/b4-3-
InChIKeyXYAPXXFKSPBQTK-ARJAWSKDSA-N
MW115.14 g/mol
LogP-1.16
Rot. Bonds3

About (Z)-4-amino-3-hydrazinylbut-3-enal

(Z)-4-amino-3-hydrazinylbut-3-enal (PubChem CID 165139977) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (Z)-4-amino-3-hydrazinylbut-3-enal.

Molecular Properties

Compound Name(Z)-4-amino-3-hydrazinylbut-3-enal
PubChem CID165139977
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(Z)-4-amino-3-hydrazinylbut-3-enal
SMILESN/C=C(/CC=O)NN
InChIInChI=1S/C4H9N3O/c5-3-4(7-6)1-2-8/h2-3,7H,1,5-6H2/b4-3-
InChIKeyXYAPXXFKSPBQTK-ARJAWSKDSA-N
XLogP-1.16
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (Z)-4-amino-3-hydrazinylbut-3-enal?
The IUPAC name of (Z)-4-amino-3-hydrazinylbut-3-enal (CID 165139977) is (Z)-4-amino-3-hydrazinylbut-3-enal.
What is the SMILES notation for (Z)-4-amino-3-hydrazinylbut-3-enal?
The canonical SMILES for (Z)-4-amino-3-hydrazinylbut-3-enal is N/C=C(/CC=O)NN.
What is the InChIKey of (Z)-4-amino-3-hydrazinylbut-3-enal?
The InChIKey is XYAPXXFKSPBQTK-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9N3O/c5-3-4(7-6)1-2-8/h2-3,7H,1,5-6H2/b4-3-.
What are the key properties of (Z)-4-amino-3-hydrazinylbut-3-enal?
(Z)-4-amino-3-hydrazinylbut-3-enal has a molecular weight of 115.14 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-hydrazinylbut-3-enal is sourced from PubChem (CID 165139977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).