1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one

C15H23NO2 — CID 67963899

IUPAC1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)CC12CC1CCC2C1
InChIInChI=1S/C15H23NO2/c1-4-14(2,3)13(18)16-12(17)9-15(16)8-10-5-6-11(15)7-10/h10-11H,4-9H2,1-3H3
InChIKeyGHVUZUBWRNJSHY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one

1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 67963899) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID67963899
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)CC12CC1CCC2C1
InChIInChI=1S/C15H23NO2/c1-4-14(2,3)13(18)16-12(17)9-15(16)8-10-5-6-11(15)7-10/h10-11H,4-9H2,1-3H3
InChIKeyGHVUZUBWRNJSHY-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one (CID 67963899) is 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one is CCC(C)(C)C(=O)N1C(=O)CC12CC1CCC2C1.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is GHVUZUBWRNJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-14(2,3)13(18)16-12(17)9-15(16)8-10-5-6-11(15)7-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one?
1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)spiro[azetidine-4,2'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 67963899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).