(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one

C9H13NO2 — CID 131854804

IUPAC(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1NC[C@@]2(C[C@H]3CC[C@@H]2C3)O1
InChIInChI=1S/C9H13NO2/c11-8-10-5-9(12-8)4-6-1-2-7(9)3-6/h6-7H,1-5H2,(H,10,11)/t6-,7+,9+/m0/s1
InChIKeyDSIWNZNZQJYSAF-LKEWCRSYSA-N
MW167.21 g/mol
LogP1.28
Rot. Bonds

About (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one

(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 131854804) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID131854804
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1NC[C@@]2(C[C@H]3CC[C@@H]2C3)O1
InChIInChI=1S/C9H13NO2/c11-8-10-5-9(12-8)4-6-1-2-7(9)3-6/h6-7H,1-5H2,(H,10,11)/t6-,7+,9+/m0/s1
InChIKeyDSIWNZNZQJYSAF-LKEWCRSYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (CID 131854804) is (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is O=C1NC[C@@]2(C[C@H]3CC[C@@H]2C3)O1.
What is the InChIKey of (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is DSIWNZNZQJYSAF-LKEWCRSYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-10-5-9(12-8)4-6-1-2-7(9)3-6/h6-7H,1-5H2,(H,10,11)/t6-,7+,9+/m0/s1.
What are the key properties of (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
(1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4'S,5S)-spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 131854804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).