methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate

C7H9NO6 — CID 71401412

IUPACmethyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=C(O)OC)C1=O
InChIInChI=1S/C7H9NO6/c1-12-6(10)4-5(9)8(3-14-4)7(11)13-2/h10H,3H2,1-2H3
InChIKeyNVDULWJDFQAFTF-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.06
Rot. Bonds1

About methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate

methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 71401412) has the molecular formula C7H9NO6 and a molecular weight of 203.15 g/mol. Its IUPAC name is methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID71401412
Molecular FormulaC7H9NO6
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Namemethyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=C(O)OC)C1=O
InChIInChI=1S/C7H9NO6/c1-12-6(10)4-5(9)8(3-14-4)7(11)13-2/h10H,3H2,1-2H3
InChIKeyNVDULWJDFQAFTF-UHFFFAOYSA-N
XLogP-0.06
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate (CID 71401412) is methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate is COC(=O)N1COC(=C(O)OC)C1=O.
What is the InChIKey of methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is NVDULWJDFQAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO6/c1-12-6(10)4-5(9)8(3-14-4)7(11)13-2/h10H,3H2,1-2H3.
What are the key properties of methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate?
methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 203.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 71401412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).