2-methoxyiminopropane-1,3-diol

C4H9NO3 — CID 19601814

IUPAC2-methoxyiminopropane-1,3-diol
SMILESCON=C(CO)CO
InChIInChI=1S/C4H9NO3/c1-8-5-4(2-6)3-7/h6-7H,2-3H2,1H3
InChIKeyXKPRYBAMYNWCGF-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.03
Rot. Bonds3

About 2-methoxyiminopropane-1,3-diol

2-methoxyiminopropane-1,3-diol (PubChem CID 19601814) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-methoxyiminopropane-1,3-diol.

Molecular Properties

Compound Name2-methoxyiminopropane-1,3-diol
PubChem CID19601814
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-methoxyiminopropane-1,3-diol
SMILESCON=C(CO)CO
InChIInChI=1S/C4H9NO3/c1-8-5-4(2-6)3-7/h6-7H,2-3H2,1H3
InChIKeyXKPRYBAMYNWCGF-UHFFFAOYSA-N
XLogP-1.03
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-methoxyiminopropane-1,3-diol?
The IUPAC name of 2-methoxyiminopropane-1,3-diol (CID 19601814) is 2-methoxyiminopropane-1,3-diol.
What is the SMILES notation for 2-methoxyiminopropane-1,3-diol?
The canonical SMILES for 2-methoxyiminopropane-1,3-diol is CON=C(CO)CO.
What is the InChIKey of 2-methoxyiminopropane-1,3-diol?
The InChIKey is XKPRYBAMYNWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-8-5-4(2-6)3-7/h6-7H,2-3H2,1H3.
What are the key properties of 2-methoxyiminopropane-1,3-diol?
2-methoxyiminopropane-1,3-diol has a molecular weight of 119.12 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminopropane-1,3-diol is sourced from PubChem (CID 19601814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).