6-butanoyl-6-azaspiro[3.4]octan-2-one

C11H17NO2 — CID 130352650

IUPAC6-butanoyl-6-azaspiro[3.4]octan-2-one
SMILESCCCC(=O)N1CCC2(CC(=O)C2)C1
InChIInChI=1S/C11H17NO2/c1-2-3-10(14)12-5-4-11(8-12)6-9(13)7-11/h2-8H2,1H3
InChIKeyMAUBOJKBXXYDOC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds2

About 6-butanoyl-6-azaspiro[3.4]octan-2-one

6-butanoyl-6-azaspiro[3.4]octan-2-one (PubChem CID 130352650) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-butanoyl-6-azaspiro[3.4]octan-2-one.

Molecular Properties

Compound Name6-butanoyl-6-azaspiro[3.4]octan-2-one
PubChem CID130352650
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-butanoyl-6-azaspiro[3.4]octan-2-one
SMILESCCCC(=O)N1CCC2(CC(=O)C2)C1
InChIInChI=1S/C11H17NO2/c1-2-3-10(14)12-5-4-11(8-12)6-9(13)7-11/h2-8H2,1H3
InChIKeyMAUBOJKBXXYDOC-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
CID 131672176
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
1-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-1-one
CID 130684712
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810

Frequently Asked Questions

What is the IUPAC name of 6-butanoyl-6-azaspiro[3.4]octan-2-one?
The IUPAC name of 6-butanoyl-6-azaspiro[3.4]octan-2-one (CID 130352650) is 6-butanoyl-6-azaspiro[3.4]octan-2-one.
What is the SMILES notation for 6-butanoyl-6-azaspiro[3.4]octan-2-one?
The canonical SMILES for 6-butanoyl-6-azaspiro[3.4]octan-2-one is CCCC(=O)N1CCC2(CC(=O)C2)C1.
What is the InChIKey of 6-butanoyl-6-azaspiro[3.4]octan-2-one?
The InChIKey is MAUBOJKBXXYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-10(14)12-5-4-11(8-12)6-9(13)7-11/h2-8H2,1H3.
What are the key properties of 6-butanoyl-6-azaspiro[3.4]octan-2-one?
6-butanoyl-6-azaspiro[3.4]octan-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butanoyl-6-azaspiro[3.4]octan-2-one is sourced from PubChem (CID 130352650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).