O-prop-2-enylhydroxylamine;hydrochloride

C3H8ClNO — CID 3084724

IUPACO-prop-2-enylhydroxylamine;hydrochloride
SMILESC=CCON.Cl
InChIInChI=1S/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H
InChIKeyXIQUJVRFXPBMHS-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.48
Rot. Bonds2

About O-prop-2-enylhydroxylamine;hydrochloride

O-prop-2-enylhydroxylamine;hydrochloride (PubChem CID 3084724) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is O-prop-2-enylhydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-prop-2-enylhydroxylamine;hydrochloride
PubChem CID3084724
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC NameO-prop-2-enylhydroxylamine;hydrochloride
SMILESC=CCON.Cl
InChIInChI=1S/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H
InChIKeyXIQUJVRFXPBMHS-UHFFFAOYSA-N
XLogP0.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-prop-2-enylhydroxylamine;hydrochloride?
The IUPAC name of O-prop-2-enylhydroxylamine;hydrochloride (CID 3084724) is O-prop-2-enylhydroxylamine;hydrochloride.
What is the SMILES notation for O-prop-2-enylhydroxylamine;hydrochloride?
The canonical SMILES for O-prop-2-enylhydroxylamine;hydrochloride is C=CCON.Cl.
What is the InChIKey of O-prop-2-enylhydroxylamine;hydrochloride?
The InChIKey is XIQUJVRFXPBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H.
What are the key properties of O-prop-2-enylhydroxylamine;hydrochloride?
O-prop-2-enylhydroxylamine;hydrochloride has a molecular weight of 109.56 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-prop-2-enylhydroxylamine;hydrochloride is sourced from PubChem (CID 3084724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).