methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C8H13NO4 — CID 57224199

IUPACmethyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(C=O)COC1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)9(7(11)12-3)6(4-10)5-13-8/h4,6H,5H2,1-3H3
InChIKeyADVGFXISNSPOLA-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.39
Rot. Bonds1

About methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57224199) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID57224199
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(C=O)COC1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)9(7(11)12-3)6(4-10)5-13-8/h4,6H,5H2,1-3H3
InChIKeyADVGFXISNSPOLA-UHFFFAOYSA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 57224199) is methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(C=O)COC1(C)C.
What is the InChIKey of methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ADVGFXISNSPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2)9(7(11)12-3)6(4-10)5-13-8/h4,6H,5H2,1-3H3.
What are the key properties of methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57224199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).