O-but-1-ynylhydroxylamine

C4H7NO — CID 20511134

IUPACO-but-1-ynylhydroxylamine
SMILESCCC#CON
InChIInChI=1S/C4H7NO/c1-2-3-4-6-5/h2,5H2,1H3
InChIKeyDPGHOSOGOBIVIE-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.25
Rot. Bonds

About O-but-1-ynylhydroxylamine

O-but-1-ynylhydroxylamine (PubChem CID 20511134) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is O-but-1-ynylhydroxylamine.

Molecular Properties

Compound NameO-but-1-ynylhydroxylamine
PubChem CID20511134
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameO-but-1-ynylhydroxylamine
SMILESCCC#CON
InChIInChI=1S/C4H7NO/c1-2-3-4-6-5/h2,5H2,1H3
InChIKeyDPGHOSOGOBIVIE-UHFFFAOYSA-N
XLogP0.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-but-1-ynylhydroxylamine?
The IUPAC name of O-but-1-ynylhydroxylamine (CID 20511134) is O-but-1-ynylhydroxylamine.
What is the SMILES notation for O-but-1-ynylhydroxylamine?
The canonical SMILES for O-but-1-ynylhydroxylamine is CCC#CON.
What is the InChIKey of O-but-1-ynylhydroxylamine?
The InChIKey is DPGHOSOGOBIVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-3-4-6-5/h2,5H2,1H3.
What are the key properties of O-but-1-ynylhydroxylamine?
O-but-1-ynylhydroxylamine has a molecular weight of 85.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-but-1-ynylhydroxylamine is sourced from PubChem (CID 20511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).