spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one

C10H15NO2 — CID 11535674

IUPACspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
SMILESO=C1NCC2(CC3CCC2CC3)O1
InChIInChI=1S/C10H15NO2/c12-9-11-6-10(13-9)5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeyLTBJLKZTYKAJKB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.68
Rot. Bonds

About spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one

spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one (PubChem CID 11535674) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Namespiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
PubChem CID11535674
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namespiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
SMILESO=C1NCC2(CC3CCC2CC3)O1
InChIInChI=1S/C10H15NO2/c12-9-11-6-10(13-9)5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeyLTBJLKZTYKAJKB-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[1,3-oxazolidine-5,2'-adamantane]-2-one
CID 13650423
3-Methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
CID 11608089
(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 45092412
7-Ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 45092419
1-Oxa-3-azaspiro[4.5]decan-2-one, 7,8-dimethyl-
CID 45092420
6-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65583669
6,8-Dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65584311
9-Methyl-6-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65584943
6,7-Dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585145
6,9-Dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585364
7-Cyclopropyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585573
6,8,8-Trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 81313659

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The IUPAC name of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one (CID 11535674) is spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The canonical SMILES for spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one is O=C1NCC2(CC3CCC2CC3)O1.
What is the InChIKey of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The InChIKey is LTBJLKZTYKAJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-11-6-10(13-9)5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.68, 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[2.2.2]octane]-2-one is sourced from PubChem (CID 11535674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).