2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one

C11H17NO2 — CID 2725027

IUPAC2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)C2CCC(C2)C12CNC(=O)O2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-12-9(13)14-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyYOZASQIJLRHQMY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds

About 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one

2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 2725027) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one
PubChem CID2725027
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)C2CCC(C2)C12CNC(=O)O2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-12-9(13)14-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyYOZASQIJLRHQMY-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one (CID 2725027) is 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one is CC1(C)C2CCC(C2)C12CNC(=O)O2.
What is the InChIKey of 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is YOZASQIJLRHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-12-9(13)14-11/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one?
2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethylspiro[1,3-oxazolidine-5,3'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 2725027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).