3-(hydroxyamino)prop-1-en-1-one

C3H5NO2 — CID 18423995

IUPAC3-(hydroxyamino)prop-1-en-1-one
SMILESO=C=CCNO
InChIInChI=1S/C3H5NO2/c5-3-1-2-4-6/h1,4,6H,2H2
InChIKeyVVOHWOIJKLVHIL-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.65
Rot. Bonds2

About 3-(hydroxyamino)prop-1-en-1-one

3-(hydroxyamino)prop-1-en-1-one (PubChem CID 18423995) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 3-(hydroxyamino)prop-1-en-1-one.

Molecular Properties

Compound Name3-(hydroxyamino)prop-1-en-1-one
PubChem CID18423995
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name3-(hydroxyamino)prop-1-en-1-one
SMILESO=C=CCNO
InChIInChI=1S/C3H5NO2/c5-3-1-2-4-6/h1,4,6H,2H2
InChIKeyVVOHWOIJKLVHIL-UHFFFAOYSA-N
XLogP-0.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', '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 3-(hydroxyamino)prop-1-en-1-one?
The IUPAC name of 3-(hydroxyamino)prop-1-en-1-one (CID 18423995) is 3-(hydroxyamino)prop-1-en-1-one.
What is the SMILES notation for 3-(hydroxyamino)prop-1-en-1-one?
The canonical SMILES for 3-(hydroxyamino)prop-1-en-1-one is O=C=CCNO.
What is the InChIKey of 3-(hydroxyamino)prop-1-en-1-one?
The InChIKey is VVOHWOIJKLVHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2/c5-3-1-2-4-6/h1,4,6H,2H2.
What are the key properties of 3-(hydroxyamino)prop-1-en-1-one?
3-(hydroxyamino)prop-1-en-1-one has a molecular weight of 87.08 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)prop-1-en-1-one is sourced from PubChem (CID 18423995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).