O-[(E)-but-1-enyl]hydroxylamine

C4H9NO — CID 20511135

IUPACO-[(E)-but-1-enyl]hydroxylamine
SMILESCC/C=C/ON
InChIInChI=1S/C4H9NO/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3+
InChIKeyAJLDWHJCJPNTAR-ONEGZZNKSA-N
MW87.12 g/mol
LogP0.80
Rot. Bonds2

About O-[(E)-but-1-enyl]hydroxylamine

O-[(E)-but-1-enyl]hydroxylamine (PubChem CID 20511135) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is O-[(E)-but-1-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-but-1-enyl]hydroxylamine
PubChem CID20511135
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameO-[(E)-but-1-enyl]hydroxylamine
SMILESCC/C=C/ON
InChIInChI=1S/C4H9NO/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3+
InChIKeyAJLDWHJCJPNTAR-ONEGZZNKSA-N
XLogP0.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.80
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'}

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-but-1-enyl]hydroxylamine?
The IUPAC name of O-[(E)-but-1-enyl]hydroxylamine (CID 20511135) is O-[(E)-but-1-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-but-1-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-but-1-enyl]hydroxylamine is CC/C=C/ON.
What is the InChIKey of O-[(E)-but-1-enyl]hydroxylamine?
The InChIKey is AJLDWHJCJPNTAR-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3+.
What are the key properties of O-[(E)-but-1-enyl]hydroxylamine?
O-[(E)-but-1-enyl]hydroxylamine has a molecular weight of 87.12 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-but-1-enyl]hydroxylamine is sourced from PubChem (CID 20511135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).