3-methoxyiminooxan-2-one

C6H9NO3 — CID 121269428

IUPAC3-methoxyiminooxan-2-one
SMILESCON=C1CCCOC1=O
InChIInChI=1S/C6H9NO3/c1-9-7-5-3-2-4-10-6(5)8/h2-4H2,1H3
InChIKeyMWKAHBWCUYNJFM-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.33
Rot. Bonds1

About 3-methoxyiminooxan-2-one

3-methoxyiminooxan-2-one (PubChem CID 121269428) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-methoxyiminooxan-2-one.

Molecular Properties

Compound Name3-methoxyiminooxan-2-one
PubChem CID121269428
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-methoxyiminooxan-2-one
SMILESCON=C1CCCOC1=O
InChIInChI=1S/C6H9NO3/c1-9-7-5-3-2-4-10-6(5)8/h2-4H2,1H3
InChIKeyMWKAHBWCUYNJFM-UHFFFAOYSA-N
XLogP0.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
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 3-methoxyiminooxan-2-one?
The IUPAC name of 3-methoxyiminooxan-2-one (CID 121269428) is 3-methoxyiminooxan-2-one.
What is the SMILES notation for 3-methoxyiminooxan-2-one?
The canonical SMILES for 3-methoxyiminooxan-2-one is CON=C1CCCOC1=O.
What is the InChIKey of 3-methoxyiminooxan-2-one?
The InChIKey is MWKAHBWCUYNJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-7-5-3-2-4-10-6(5)8/h2-4H2,1H3.
What are the key properties of 3-methoxyiminooxan-2-one?
3-methoxyiminooxan-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyiminooxan-2-one is sourced from PubChem (CID 121269428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).