1-azaspiro[5.6]dodecan-4-one

C11H19NO — CID 82408127

IUPAC1-azaspiro[5.6]dodecan-4-one
SMILESO=C1CCNC2(CCCCCC2)C1
InChIInChI=1S/C11H19NO/c13-10-5-8-12-11(9-10)6-3-1-2-4-7-11/h12H,1-9H2
InChIKeyJGCDBTPWNXUUNX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.03
Rot. Bonds

About 1-azaspiro[5.6]dodecan-4-one

1-azaspiro[5.6]dodecan-4-one (PubChem CID 82408127) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-azaspiro[5.6]dodecan-4-one.

Molecular Properties

Compound Name1-azaspiro[5.6]dodecan-4-one
PubChem CID82408127
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-azaspiro[5.6]dodecan-4-one
SMILESO=C1CCNC2(CCCCCC2)C1
InChIInChI=1S/C11H19NO/c13-10-5-8-12-11(9-10)6-3-1-2-4-7-11/h12H,1-9H2
InChIKeyJGCDBTPWNXUUNX-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-azaspiro[4.5]decan-9-one
CID 23009350
4-azaspiro[2.5]octan-7-one
CID 82418847
2,6-diazaspiro[4.5]decan-9-one
CID 115011980
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
CID 115047183
2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
CID 14961667
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
1-azaspiro[4.5]decane
CID 9092
1-azaspiro[4.5]decane-2,7-dione
CID 24973668
3,7-diazaspiro[5.6]dodecane
CID 22975640
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
3,3-dimethylcycloheptan-1-one
CID 12702041

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[5.6]dodecan-4-one?
The IUPAC name of 1-azaspiro[5.6]dodecan-4-one (CID 82408127) is 1-azaspiro[5.6]dodecan-4-one.
What is the SMILES notation for 1-azaspiro[5.6]dodecan-4-one?
The canonical SMILES for 1-azaspiro[5.6]dodecan-4-one is O=C1CCNC2(CCCCCC2)C1.
What is the InChIKey of 1-azaspiro[5.6]dodecan-4-one?
The InChIKey is JGCDBTPWNXUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-10-5-8-12-11(9-10)6-3-1-2-4-7-11/h12H,1-9H2.
What are the key properties of 1-azaspiro[5.6]dodecan-4-one?
1-azaspiro[5.6]dodecan-4-one has a molecular weight of 181.28 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[5.6]dodecan-4-one is sourced from PubChem (CID 82408127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).