3-azaspiro[5.5]undecan-10-one

C10H17NO — CID 59929925

IUPAC3-azaspiro[5.5]undecan-10-one
SMILESO=C1CCCC2(CCNCC2)C1
InChIInChI=1S/C10H17NO/c12-9-2-1-3-10(8-9)4-6-11-7-5-10/h11H,1-8H2
InChIKeyGRWAVSVWICRTMM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds

About 3-azaspiro[5.5]undecan-10-one

3-azaspiro[5.5]undecan-10-one (PubChem CID 59929925) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-10-one
PubChem CID59929925
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-azaspiro[5.5]undecan-10-one
SMILESO=C1CCCC2(CCNCC2)C1
InChIInChI=1S/C10H17NO/c12-9-2-1-3-10(8-9)4-6-11-7-5-10/h11H,1-8H2
InChIKeyGRWAVSVWICRTMM-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[4.6]undecan-10-one
CID 15638085
spiro[2.7]decan-9-one
CID 130028945
4,4-dimethylspiro[5.5]undecane-2,10-dione
CID 10798425
3-tert-butyl-3-azaspiro[5.5]undecan-10-one
CID 160927824
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
CID 118385513
dispiro[3.1.36.14]decan-8-one
CID 155821290
5,5-dimethylazepan-3-one
CID 82594303
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115
1,10-dibromobicyclo[8.1.0]undecane-3,8-dione
CID 15400037
3-azaspiro[5.5]undecane-4,9-dione
CID 178016231

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-10-one?
The IUPAC name of 3-azaspiro[5.5]undecan-10-one (CID 59929925) is 3-azaspiro[5.5]undecan-10-one.
What is the SMILES notation for 3-azaspiro[5.5]undecan-10-one?
The canonical SMILES for 3-azaspiro[5.5]undecan-10-one is O=C1CCCC2(CCNCC2)C1.
What is the InChIKey of 3-azaspiro[5.5]undecan-10-one?
The InChIKey is GRWAVSVWICRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-9-2-1-3-10(8-9)4-6-11-7-5-10/h11H,1-8H2.
What are the key properties of 3-azaspiro[5.5]undecan-10-one?
3-azaspiro[5.5]undecan-10-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-10-one is sourced from PubChem (CID 59929925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).