(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one

C11H17NO2 — CID 1268134

IUPAC(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@@]12COC(=O)N2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-14-9(13)12-11/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+,11-/m0/s1
InChIKeyIIRXFQFVVUAFGC-RNSXUZJQSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds

About (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one

(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 1268134) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
PubChem CID1268134
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@@]12COC(=O)N2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-14-9(13)12-11/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+,11-/m0/s1
InChIKeyIIRXFQFVVUAFGC-RNSXUZJQSA-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

Analyze (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one (CID 1268134) is (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one is CC1(C)[C@H]2CC[C@H](C2)[C@@]12COC(=O)N2.
What is the InChIKey of (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is IIRXFQFVVUAFGC-RNSXUZJQSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-3-4-8(5-7)11(10)6-14-9(13)12-11/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+,11-/m0/s1.
What are the key properties of (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one?
(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-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 (1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 1268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).