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

C11H17NO2 — CID 11608089

IUPAC3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
SMILESCN1CC2(CC3CCC2CC3)OC1=O
InChIInChI=1S/C11H17NO2/c1-12-7-11(14-10(12)13)6-8-2-4-9(11)5-3-8/h8-9H,2-7H2,1H3
InChIKeyBPHIOKFVJHLUIG-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.02
Rot. Bonds

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

3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one (PubChem CID 11608089) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
PubChem CID11608089
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
SMILESCN1CC2(CC3CCC2CC3)OC1=O
InChIInChI=1S/C11H17NO2/c1-12-7-11(14-10(12)13)6-8-2-4-9(11)5-3-8/h8-9H,2-7H2,1H3
InChIKeyBPHIOKFVJHLUIG-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
CID 12604735
2-Oxospiro[1,3-oxazolidine-5,2'-adamantane]-3-carbothialdehyde
CID 23312561
3-Methyl-8-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 176864723
Spiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one
CID 11535674
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

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one (CID 11608089) is 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The canonical SMILES for 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one is CN1CC2(CC3CCC2CC3)OC1=O.
What is the InChIKey of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
The InChIKey is BPHIOKFVJHLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-7-11(14-10(12)13)6-8-2-4-9(11)5-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one?
3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11608089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).