O-pent-4-enylhydroxylamine

C5H11NO — CID 54416047

IUPACO-pent-4-enylhydroxylamine
SMILESC=CCCCON
InChIInChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2H,1,3-6H2
InChIKeyZTSWMJCLOBXFMM-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds4

About O-pent-4-enylhydroxylamine

O-pent-4-enylhydroxylamine (PubChem CID 54416047) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is O-pent-4-enylhydroxylamine.

Molecular Properties

Compound NameO-pent-4-enylhydroxylamine
PubChem CID54416047
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameO-pent-4-enylhydroxylamine
SMILESC=CCCCON
InChIInChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2H,1,3-6H2
InChIKeyZTSWMJCLOBXFMM-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-pent-4-enylhydroxylamine?
The IUPAC name of O-pent-4-enylhydroxylamine (CID 54416047) is O-pent-4-enylhydroxylamine.
What is the SMILES notation for O-pent-4-enylhydroxylamine?
The canonical SMILES for O-pent-4-enylhydroxylamine is C=CCCCON.
What is the InChIKey of O-pent-4-enylhydroxylamine?
The InChIKey is ZTSWMJCLOBXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2H,1,3-6H2.
What are the key properties of O-pent-4-enylhydroxylamine?
O-pent-4-enylhydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-pent-4-enylhydroxylamine is sourced from PubChem (CID 54416047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).