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

C13H23NO2 — CID 50937363

IUPAC(1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]
SMILESCC1(C)OC[C@@]2([C@H]3CC[C@H](C3)C2(C)C)N1O
InChIInChI=1S/C13H23NO2/c1-11(2)9-5-6-10(7-9)13(11)8-16-12(3,4)14(13)15/h9-10,15H,5-8H2,1-4H3/t9-,10+,13+/m1/s1
InChIKeyKZTYVSUOSFYZPB-NRUUGDAUSA-N
MW225.33 g/mol
LogP2.64
Rot. Bonds

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

(1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane] (PubChem CID 50937363) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name(1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]
PubChem CID50937363
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]
SMILESCC1(C)OC[C@@]2([C@H]3CC[C@H](C3)C2(C)C)N1O
InChIInChI=1S/C13H23NO2/c1-11(2)9-5-6-10(7-9)13(11)8-16-12(3,4)14(13)15/h9-10,15H,5-8H2,1-4H3/t9-,10+,13+/m1/s1
InChIKeyKZTYVSUOSFYZPB-NRUUGDAUSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]?
The IUPAC name of (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane] (CID 50937363) is (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane].
What is the SMILES notation for (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]?
The canonical SMILES for (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane] is CC1(C)OC[C@@]2([C@H]3CC[C@H](C3)C2(C)C)N1O.
What is the InChIKey of (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]?
The InChIKey is KZTYVSUOSFYZPB-NRUUGDAUSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)9-5-6-10(7-9)13(11)8-16-12(3,4)14(13)15/h9-10,15H,5-8H2,1-4H3/t9-,10+,13+/m1/s1.
What are the key properties of (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]?
(1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane] has a molecular weight of 225.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S,4'S)-3-hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 50937363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).