3-(methoxyamino)prop-2-en-1-ol

C4H9NO2 — CID 57086072

IUPAC3-(methoxyamino)prop-2-en-1-ol
SMILESCONC=CCO
InChIInChI=1S/C4H9NO2/c1-7-5-3-2-4-6/h2-3,5-6H,4H2,1H3
InChIKeyVCDBYHOYNMPMJJ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.36
Rot. Bonds3

About 3-(methoxyamino)prop-2-en-1-ol

3-(methoxyamino)prop-2-en-1-ol (PubChem CID 57086072) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-(methoxyamino)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(methoxyamino)prop-2-en-1-ol
PubChem CID57086072
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name3-(methoxyamino)prop-2-en-1-ol
SMILESCONC=CCO
InChIInChI=1S/C4H9NO2/c1-7-5-3-2-4-6/h2-3,5-6H,4H2,1H3
InChIKeyVCDBYHOYNMPMJJ-UHFFFAOYSA-N
XLogP-0.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)prop-2-en-1-ol?
The IUPAC name of 3-(methoxyamino)prop-2-en-1-ol (CID 57086072) is 3-(methoxyamino)prop-2-en-1-ol.
What is the SMILES notation for 3-(methoxyamino)prop-2-en-1-ol?
The canonical SMILES for 3-(methoxyamino)prop-2-en-1-ol is CONC=CCO.
What is the InChIKey of 3-(methoxyamino)prop-2-en-1-ol?
The InChIKey is VCDBYHOYNMPMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-7-5-3-2-4-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-(methoxyamino)prop-2-en-1-ol?
3-(methoxyamino)prop-2-en-1-ol has a molecular weight of 103.12 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)prop-2-en-1-ol is sourced from PubChem (CID 57086072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).