methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate

C7H10N2O3 — CID 166717131

IUPACmethyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(C#N)CON(C)C1
InChIInChI=1S/C7H10N2O3/c1-9-4-7(3-8,5-12-9)6(10)11-2/h4-5H2,1-2H3
InChIKeyVTSLMTCKQWFBQD-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.45
Rot. Bonds1

About methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate

methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate (PubChem CID 166717131) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate
PubChem CID166717131
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(C#N)CON(C)C1
InChIInChI=1S/C7H10N2O3/c1-9-4-7(3-8,5-12-9)6(10)11-2/h4-5H2,1-2H3
InChIKeyVTSLMTCKQWFBQD-UHFFFAOYSA-N
XLogP-0.45
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate (CID 166717131) is methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate is COC(=O)C1(C#N)CON(C)C1.
What is the InChIKey of methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is VTSLMTCKQWFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-4-7(3-8,5-12-9)6(10)11-2/h4-5H2,1-2H3.
What are the key properties of methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate?
methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 170.17 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 166717131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).