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

C10H15NO2 — CID 11564569

IUPAC3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCN1CC2(CC3CCC2C3)OC1=O
InChIInChI=1S/C10H15NO2/c1-11-6-10(13-9(11)12)5-7-2-3-8(10)4-7/h7-8H,2-6H2,1H3
InChIKeyPOTQTCOQWSPZPB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.63
Rot. Bonds

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

3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 11564569) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID11564569
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCN1CC2(CC3CCC2C3)OC1=O
InChIInChI=1S/C10H15NO2/c1-11-6-10(13-9(11)12)5-7-2-3-8(10)4-7/h7-8H,2-6H2,1H3
InChIKeyPOTQTCOQWSPZPB-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (CID 11564569) is 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is CN1CC2(CC3CCC2C3)OC1=O.
What is the InChIKey of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is POTQTCOQWSPZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-6-10(13-9(11)12)5-7-2-3-8(10)4-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.63, 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[2.2.1]heptane]-2-one is sourced from PubChem (CID 11564569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).