O-[(1Z)-buta-1,3-dienyl]hydroxylamine

C4H7NO — CID 143339294

IUPACO-[(1Z)-buta-1,3-dienyl]hydroxylamine
SMILESC=C/C=C\ON
InChIInChI=1S/C4H7NO/c1-2-3-4-6-5/h2-4H,1,5H2/b4-3-
InChIKeyAHYJLNPYZMNYKU-ARJAWSKDSA-N
MW85.11 g/mol
LogP0.58
Rot. Bonds2

About O-[(1Z)-buta-1,3-dienyl]hydroxylamine

O-[(1Z)-buta-1,3-dienyl]hydroxylamine (PubChem CID 143339294) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is O-[(1Z)-buta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1Z)-buta-1,3-dienyl]hydroxylamine
PubChem CID143339294
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameO-[(1Z)-buta-1,3-dienyl]hydroxylamine
SMILESC=C/C=C\ON
InChIInChI=1S/C4H7NO/c1-2-3-4-6-5/h2-4H,1,5H2/b4-3-
InChIKeyAHYJLNPYZMNYKU-ARJAWSKDSA-N
XLogP0.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(1Z)-buta-1,3-dienyl]hydroxylamine?
The IUPAC name of O-[(1Z)-buta-1,3-dienyl]hydroxylamine (CID 143339294) is O-[(1Z)-buta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for O-[(1Z)-buta-1,3-dienyl]hydroxylamine?
The canonical SMILES for O-[(1Z)-buta-1,3-dienyl]hydroxylamine is C=C/C=C\ON.
What is the InChIKey of O-[(1Z)-buta-1,3-dienyl]hydroxylamine?
The InChIKey is AHYJLNPYZMNYKU-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-3-4-6-5/h2-4H,1,5H2/b4-3-.
What are the key properties of O-[(1Z)-buta-1,3-dienyl]hydroxylamine?
O-[(1Z)-buta-1,3-dienyl]hydroxylamine has a molecular weight of 85.11 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1Z)-buta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 143339294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).