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

C9H13NO2 — CID 11506522

IUPACspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1NCC2(CC3CCC2C3)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)
InChIKeyDSIWNZNZQJYSAF-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.28
Rot. Bonds

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

spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 11506522) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Namespiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID11506522
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namespiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1NCC2(CC3CCC2C3)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)
InChIKeyDSIWNZNZQJYSAF-UHFFFAOYSA-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 spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (CID 11506522) is spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is O=C1NCC2(CC3CCC2C3)O1.
What is the InChIKey of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is DSIWNZNZQJYSAF-UHFFFAOYSA-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).
What are the key properties of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
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 spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 11506522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).